(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

C9H9Cl2F4N — CID 171234863

IUPAC(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF4N.ClH/c10-7-3-5(8(15)4-11)1-2-6(7)9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m0./s1
InChIKeyZVBTWLSCOHXCLH-QRPNPIFTSA-N
MW278.08 g/mol
LogP3.75
Rot. Bonds2

About (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (PubChem CID 171234863) has the molecular formula C9H9Cl2F4N and a molecular weight of 278.08 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
PubChem CID171234863
Molecular FormulaC9H9Cl2F4N
Molecular Weight278.08 g/mol
Exact Mass277.00
IUPAC Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H8ClF4N.ClH/c10-7-3-5(8(15)4-11)1-2-6(7)9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m0./s1
InChIKeyZVBTWLSCOHXCLH-QRPNPIFTSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;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-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
methyl (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171251443
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725
methyl (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171251442
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(1S,2R)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]butan-2-ol
CID 171271375

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (CID 171234863) is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The InChIKey is ZVBTWLSCOHXCLH-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H8ClF4N.ClH/c10-7-3-5(8(15)4-11)1-2-6(7)9(12,13)14;/h1-3,8H,4,15H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride has a molecular weight of 278.08 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171234863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).