| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | Yes |
Popular Name: 2-Fluorotoluene 2-Fluorotoluene
Find On: PubMed — Wikipedia — Google
CAS Number: 95-52-3
1-methylbutyl 2-methylprop-2-enoate
2-(Trifluoromethoxy)Fluorobenzene
2-(Trifluoromethyl)Benzoyl Bromide [395-44-8]
2-(Trifluoromethyl)Benzyl Chloride [21742-00-7]
2-(Trifluoromethyl)Benzylamine [3048-01-9]
2-Fluoroacetanilide [330-68-7]
2-Fluorobeneneboronic Acid [1993-03-9]
2-Fluorobenotrichloride [488-98-2]; (2-Fuoro-a,a,a-trichlorotoluene)
2-Fluorobenzal Chloride [320-65-0]; (1-Dichloromethyl-2-fluorobenzene)
2-Fluorobenzenesulfonyl chloride ; [2905-21-7]
2-Fluorobenzotrifluoride [392-85-8]; (a,a,a,2-tetrafluorotoluene)
2-Fluorobenzyl Alcohol [446-51-5]
2-Fluorobenzyl Bromide [446-48-0]
2-Fluorobenzyl Chloride [345-35-7]
2-Fluorobenzyl Isothiocyanate [64382-80-5]
2-Fluorophenyl Acetic Acid [451-82-1]
2-Fluorophenyl Alcohol [50919-06-7]
2-Fluorophenylacetonitrile [326-62-5]; (2-Fluorobenzyl cyanide)
2-FluorophenylHydrazine Hydrochloride [2924-15-4]
2-methyl-2-propenoic acid pentan-2-yl ester
3-(2-Fluorophenyl)Propionic Acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.50 | 5.2 | -3.03 | 0 | 0 | 0 | 0 | 110.131 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 62 | Acros Organics |
| MP | 62° | Oakwood Chemical |
| Melting_Point | 87? | Alfa-Aesar |
| Melting_Point | 87° | Alfa-Aesar |
| BP [°C] | 113 - 114 | Acros Organics |
| Boiling_Point | 113-114? | Alfa-Aesar |
| BP | 113-114° | Oakwood Chemical |
| BP | 114 | TCI |
| Purity | 99% | Fluorochem |
| Purity | 99+% | Fluorochem |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R37: Irritating to respiratory system. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 10 | 1.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 9.54992586 | 1.40 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 4900 | 0.93 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
