1-[3-(trifluoromethyl)phenyl]heptan-2-ol

C14H19F3O — CID 65149247

IUPAC1-[3-(trifluoromethyl)phenyl]heptan-2-ol
SMILESCCCCCC(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-2-3-4-8-13(18)10-11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,2-4,8,10H2,1H3
InChIKeyKZPHPIAJICJOFC-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-(trifluoromethyl)phenyl]heptan-2-ol

1-[3-(trifluoromethyl)phenyl]heptan-2-ol (PubChem CID 65149247) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]heptan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]heptan-2-ol
PubChem CID65149247
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]heptan-2-ol
SMILESCCCCCC(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-2-3-4-8-13(18)10-11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,2-4,8,10H2,1H3
InChIKeyKZPHPIAJICJOFC-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(trifluoromethyl)phenyl]heptan-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-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
1,1-diethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]decan-1-ol
CID 150655129
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
1-[2-(1,1-dimethoxyethyl)decyl]-3-(trifluoromethyl)benzene
CID 151612561
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]heptan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]heptan-2-ol (CID 65149247) is 1-[3-(trifluoromethyl)phenyl]heptan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]heptan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]heptan-2-ol is CCCCCC(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]heptan-2-ol?
The InChIKey is KZPHPIAJICJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-2-3-4-8-13(18)10-11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,2-4,8,10H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]heptan-2-ol?
1-[3-(trifluoromethyl)phenyl]heptan-2-ol has a molecular weight of 260.30 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]heptan-2-ol is sourced from PubChem (CID 65149247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).