3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C16H15F4NO — CID 138490004

IUPAC3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESNCC(O)C(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c17-13-6-4-10(5-7-13)15(14(22)9-21)11-2-1-3-12(8-11)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyFHVWASDTHOHOPR-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.30
Rot. Bonds4

About 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 138490004) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID138490004
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESNCC(O)C(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c17-13-6-4-10(5-7-13)15(14(22)9-21)11-2-1-3-12(8-11)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyFHVWASDTHOHOPR-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol 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

2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 118340396
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]propanoate
CID 22261948
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 138490004) is 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is NCC(O)C(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is FHVWASDTHOHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-13-6-4-10(5-7-13)15(14(22)9-21)11-2-1-3-12(8-11)16(18,19)20/h1-8,14-15,22H,9,21H2.
What are the key properties of 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 313.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 138490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).