(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

C8H7Cl2F4N — CID 171247942

IUPAC(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C8H6ClF4N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m0./s1
InChIKeyWICMCCNGZUCPNR-FJXQXJEOSA-N
MW264.05 g/mol
LogP3.46
Rot. Bonds1

About (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 171247942) has the molecular formula C8H7Cl2F4N and a molecular weight of 264.05 g/mol. Its IUPAC name is (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID171247942
Molecular FormulaC8H7Cl2F4N
Molecular Weight264.05 g/mol
Exact Mass262.99
IUPAC Name(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C8H6ClF4N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m0./s1
InChIKeyWICMCCNGZUCPNR-FJXQXJEOSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311632
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
3-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-chlorobenzoic acid
CID 66511591
(1S)-2,2,2-trifluoro-1-(4-fluoro-2-iodophenyl)ethanamine
CID 66512623
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(1S)-1-(2-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311611
1-(2-chloro-5-nitrophenyl)-2,2,2-trifluoroethanamine
CID 77128404
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 171247942) is (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cl.N[C@@H](c1cc(F)ccc1Cl)C(F)(F)F.
What is the InChIKey of (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is WICMCCNGZUCPNR-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H6ClF4N.ClH/c9-6-2-1-4(10)3-5(6)7(14)8(11,12)13;/h1-3,7H,14H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 264.05 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 171247942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).