4-[3-(trifluoromethyl)phenyl]pentan-2-ol

C12H15F3O — CID 64718997

IUPAC4-[3-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCC(O)CC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-8(6-9(2)16)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9,16H,6H2,1-2H3
InChIKeyMFQBDLUBGPSTBM-UHFFFAOYSA-N
MW232.24 g/mol
LogP3.58
Rot. Bonds3

About 4-[3-(trifluoromethyl)phenyl]pentan-2-ol

4-[3-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 64718997) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID64718997
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-[3-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCC(O)CC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-8(6-9(2)16)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9,16H,6H2,1-2H3
InChIKeyMFQBDLUBGPSTBM-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[3-(trifluoromethyl)phenyl]pentan-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

1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]pentan-2-ol (CID 64718997) is 4-[3-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]pentan-2-ol is CC(O)CC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is MFQBDLUBGPSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-8(6-9(2)16)10-4-3-5-11(7-10)12(13,14)15/h3-5,7-9,16H,6H2,1-2H3.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]pentan-2-ol?
4-[3-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 232.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 64718997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).