2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol

C17H24F2O — CID 105402426

IUPAC2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2O/c1-16(2,3)15-6-4-5-7-17(15,20)11-12-8-13(18)10-14(19)9-12/h8-10,15,20H,4-7,11H2,1-3H3
InChIKeyFSJJLPSQTYZNRK-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.47
Rot. Bonds2

About 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol

2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 105402426) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
PubChem CID105402426
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2O/c1-16(2,3)15-6-4-5-7-17(15,20)11-12-8-13(18)10-14(19)9-12/h8-10,15,20H,4-7,11H2,1-3H3
InChIKeyFSJJLPSQTYZNRK-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-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-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735626
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 105402722
2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65147543
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
CID 63406868
4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 105402809
cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 171582081
1-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 79699253
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
CID 79568315
2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
CID 19862215

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol (CID 105402426) is 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is FSJJLPSQTYZNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-16(2,3)15-6-4-5-7-17(15,20)11-12-8-13(18)10-14(19)9-12/h8-10,15,20H,4-7,11H2,1-3H3.
What are the key properties of 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol?
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 282.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 105402426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).