(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride

C12H16ClF4N — CID 171242162

IUPAC(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cc(F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H15F4N.ClH/c1-11(2,3)10(17)7-4-8(12(14,15)16)6-9(13)5-7;/h4-6,10H,17H2,1-3H3;1H/t10-;/m1./s1
InChIKeyMXPOEXCGOSKTNV-HNCPQSOCSA-N
MW285.71 g/mol
LogP4.31
Rot. Bonds1

About (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride

(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171242162) has the molecular formula C12H16ClF4N and a molecular weight of 285.71 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171242162
Molecular FormulaC12H16ClF4N
Molecular Weight285.71 g/mol
Exact Mass285.09
IUPAC Name(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cc(F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H15F4N.ClH/c1-11(2,3)10(17)7-4-8(12(14,15)16)6-9(13)5-7;/h4-6,10H,17H2,1-3H3;1H/t10-;/m1./s1
InChIKeyMXPOEXCGOSKTNV-HNCPQSOCSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;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

1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171268937
(1R,2S)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263263
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171226978
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517668
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171245009

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride (CID 171242162) is (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@H](N)c1cc(F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is MXPOEXCGOSKTNV-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15F4N.ClH/c1-11(2,3)10(17)7-4-8(12(14,15)16)6-9(13)5-7;/h4-6,10H,17H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride?
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 285.71 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171242162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).