(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine

C12H15F4N — CID 171248868

IUPAC(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4N/c1-11(2,3)10(17)8-5-4-7(6-9(8)13)12(14,15)16/h4-6,10H,17H2,1-3H3/t10-/m0/s1
InChIKeyLYBBWTJQUPGDMA-JTQLQIEISA-N
MW249.25 g/mol
LogP3.89
Rot. Bonds1

About (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine

(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 171248868) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
PubChem CID171248868
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H15F4N/c1-11(2,3)10(17)8-5-4-7(6-9(8)13)12(14,15)16/h4-6,10H,17H2,1-3H3/t10-/m0/s1
InChIKeyLYBBWTJQUPGDMA-JTQLQIEISA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-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

(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171312446
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263236
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (CID 171248868) is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is LYBBWTJQUPGDMA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F4N/c1-11(2,3)10(17)8-5-4-7(6-9(8)13)12(14,15)16/h4-6,10H,17H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 249.25 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 171248868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).