Basic information
- CAS
886371-36-4- Standard SMILES
COc1ccc(Cl)cc1C(N)C(F)(F)F- InChIKey
GVZQHNJDFIICMS-UHFFFAOYSA-N- Molecular formula
- C9H9ClF3NO
- Average molar mass
- 239.62 g/mol
- Monoisotopic mass
- 239.0324761
Names & identifiers
- Preferred name
- (R)-1-(5-Chloro-2-methoxy-phenyl)-2,2,2-trifluoro-ethylamine
- IUPAC
- 1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
- English name
- 1-(5-CHLORO-2-METHOXY-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
- Molecular formula
- C9H9ClF3NO
- Molecular weight
- 239.6220696
Names & synonyms
886371-36-41-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethan-1-amine(R)-1-(5-CHLORO-2-METHOXY-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE1-(5-CHLORO-2-METHOXY-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE1-(5-CHLORO-2-METHOXYPHENYL)-2,2,2-TRIFLUOROETHANAMINEDTXSID001199638AKOS015925221AB40491AB40493AB40494EN300-1931670Z198743860
Show more names
5-Chloro-2-methoxy-α-(trifluoromethyl)benzenemethanamineBenzenemethanamine, 5-chloro-2-methoxy-α-(trifluoromethyl)-
5-Chloro-2-methoxy-I+/--(trifluoromethyl)benzenemethanamine(S)-1-(5-CHLORO-2-METHOXY-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
Database identifiers
- CAS
886371-36-4- PubChem CID
- 66511237
- DTXSID
DTXSID001199638
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 284.5 · 284.5±40.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 5.95 · 5.95±0.10(Predicted)
Chemistry & industry
Suppliers3 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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