(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine

C11H10F7N — CID 171228633

IUPAC(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C11H10F7N/c12-6-1-2-7(8(5-6)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2/t9-/m0/s1
InChIKeyXWQYPXCACUJJNU-VIFPVBQESA-N
MW289.19 g/mol
LogP4.19
Rot. Bonds3

About (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine

(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 171228633) has the molecular formula C11H10F7N and a molecular weight of 289.19 g/mol. Its IUPAC name is (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID171228633
Molecular FormulaC11H10F7N
Molecular Weight289.19 g/mol
Exact Mass289.07
IUPAC Name(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
SMILESN[C@@H](CCC(F)(F)F)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C11H10F7N/c12-6-1-2-7(8(5-6)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2/t9-/m0/s1
InChIKeyXWQYPXCACUJJNU-VIFPVBQESA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine 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

(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171209037
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79021947
(3S)-3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79015985
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine (CID 171228633) is (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine is N[C@@H](CCC(F)(F)F)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is XWQYPXCACUJJNU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F7N/c12-6-1-2-7(8(5-6)11(16,17)18)9(19)3-4-10(13,14)15/h1-2,5,9H,3-4,19H2/t9-/m0/s1.
What are the key properties of (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine?
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 171228633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).