(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine

C9H9F4N — CID 79021753

IUPAC(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKeyAJLHHPIUEHCVMQ-RXMQYKEDSA-N
MW207.17 g/mol
LogP2.86
Rot. Bonds1

About (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine

(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79021753) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID79021753
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKeyAJLHHPIUEHCVMQ-RXMQYKEDSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine 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,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
4-fluoro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382757
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 68716892
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine (CID 79021753) is (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AJLHHPIUEHCVMQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine?
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79021753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).