1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol

C13H17F3O — CID 79953572

IUPAC1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
SMILESCc1ccc(C)c(CC(O)CCC(F)(F)F)c1
InChIInChI=1S/C13H17F3O/c1-9-3-4-10(2)11(7-9)8-12(17)5-6-13(14,15)16/h3-4,7,12,17H,5-6,8H2,1-2H3
InChIKeyVDOUAQHEIVGNJC-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol

1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol (PubChem CID 79953572) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
PubChem CID79953572
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
SMILESCc1ccc(C)c(CC(O)CCC(F)(F)F)c1
InChIInChI=1S/C13H17F3O/c1-9-3-4-10(2)11(7-9)8-12(17)5-6-13(14,15)16/h3-4,7,12,17H,5-6,8H2,1-2H3
InChIKeyVDOUAQHEIVGNJC-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-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

(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135661
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol (CID 79953572) is 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol is Cc1ccc(C)c(CC(O)CCC(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol?
The InChIKey is VDOUAQHEIVGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-9-3-4-10(2)11(7-9)8-12(17)5-6-13(14,15)16/h3-4,7,12,17H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol?
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol has a molecular weight of 246.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 79953572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).