[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol

C13H16F2O — CID 115035529

IUPAC[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
SMILESOCc1ccccc1C(C(F)F)C1CCC1
InChIInChI=1S/C13H16F2O/c14-13(15)12(9-5-3-6-9)11-7-2-1-4-10(11)8-16/h1-2,4,7,9,12-13,16H,3,5-6,8H2
InChIKeyUGLMQQCSHBQWPJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.33
Rot. Bonds4

About [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol

[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol (PubChem CID 115035529) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
PubChem CID115035529
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
SMILESOCc1ccccc1C(C(F)F)C1CCC1
InChIInChI=1S/C13H16F2O/c14-13(15)12(9-5-3-6-9)11-7-2-1-4-10(11)8-16/h1-2,4,7,9,12-13,16H,3,5-6,8H2
InChIKeyUGLMQQCSHBQWPJ-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol 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-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
CID 115043683
[2-(1-cyclopentyl-2-fluoroethyl)phenyl]methanol
CID 115033478
2-(1-cyclohexyl-2,2-difluoroethyl)phenol
CID 115043682
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
CID 115025382
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
[2-[(1R,2R)-2-aminocyclopentyl]phenyl]methanol
CID 131172314
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol?
The IUPAC name of [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol (CID 115035529) is [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol.
What is the SMILES notation for [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol?
The canonical SMILES for [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol is OCc1ccccc1C(C(F)F)C1CCC1.
What is the InChIKey of [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol?
The InChIKey is UGLMQQCSHBQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c14-13(15)12(9-5-3-6-9)11-7-2-1-4-10(11)8-16/h1-2,4,7,9,12-13,16H,3,5-6,8H2.
What are the key properties of [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol?
[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol has a molecular weight of 226.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol is sourced from PubChem (CID 115035529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).