(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine

C9H8F5N — CID 125466549

IUPAC(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H8F5N/c1-4(15)5-2-6(10)8(7(11)3-5)9(12,13)14/h2-4H,15H2,1H3/t4-/m1/s1
InChIKeyPPRQSWBMXPKHGE-SCSAIBSYSA-N
MW225.16 g/mol
LogP3.00
Rot. Bonds1

About (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine

(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 125466549) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID125466549
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H8F5N/c1-4(15)5-2-6(10)8(7(11)3-5)9(12,13)14/h2-4H,15H2,1H3/t4-/m1/s1
InChIKeyPPRQSWBMXPKHGE-SCSAIBSYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[3,5-difluoro-4-(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

1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
CID 129130079
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine
CID 117046899
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
CID 70839125
methyl 4-(1-aminoethyl)-2,6-difluorobenzoate
CID 167297301
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
1-bromo-5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)benzene
CID 171007965
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine (CID 125466549) is (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine is C[C@@H](N)c1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PPRQSWBMXPKHGE-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H8F5N/c1-4(15)5-2-6(10)8(7(11)3-5)9(12,13)14/h2-4H,15H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine?
(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 225.16 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 125466549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).