(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine

C9H6ClF6N — CID 171242192

IUPAC(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6ClF6N/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13/h1-3,7H,17H2/t7-/m1/s1
InChIKeyYPMVOLYJXBUXPO-SSDOTTSWSA-N
MW277.60 g/mol
LogP3.92
Rot. Bonds1

About (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine

(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine (PubChem CID 171242192) has the molecular formula C9H6ClF6N and a molecular weight of 277.60 g/mol. Its IUPAC name is (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
PubChem CID171242192
Molecular FormulaC9H6ClF6N
Molecular Weight277.60 g/mol
Exact Mass277.01
IUPAC Name(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6ClF6N/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13/h1-3,7H,17H2/t7-/m1/s1
InChIKeyYPMVOLYJXBUXPO-SSDOTTSWSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131543112
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 91646208
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171227093
(S)-[4-chloro-2-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171227119
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207522
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
4-chloro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382696
(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240921
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine (CID 171242192) is (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine is N[C@H](c1ccc(Cl)cc1C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
The InChIKey is YPMVOLYJXBUXPO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6ClF6N/c10-4-1-2-5(7(17)9(14,15)16)6(3-4)8(11,12)13/h1-3,7H,17H2/t7-/m1/s1.
What are the key properties of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine?
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine has a molecular weight of 277.60 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 171242192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).