3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol

C13H22F2O — CID 58445668

IUPAC3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC1C2CC(CC(C)(O)C(F)F)C(C2)C1C
InChIInChI=1S/C13H22F2O/c1-7-8(2)11-5-9(7)4-10(11)6-13(3,16)12(14)15/h7-12,16H,4-6H2,1-3H3
InChIKeyCGSTYKXVEKUZQH-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.32
Rot. Bonds3

About 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol

3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 58445668) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
PubChem CID58445668
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC1C2CC(CC(C)(O)C(F)F)C(C2)C1C
InChIInChI=1S/C13H22F2O/c1-7-8(2)11-5-9(7)4-10(11)6-13(3,16)12(14)15/h7-12,16H,4-6H2,1-3H3
InChIKeyCGSTYKXVEKUZQH-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol (CID 58445668) is 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol is CC1C2CC(CC(C)(O)C(F)F)C(C2)C1C.
What is the InChIKey of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is CGSTYKXVEKUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-7-8(2)11-5-9(7)4-10(11)6-13(3,16)12(14)15/h7-12,16H,4-6H2,1-3H3.
What are the key properties of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol?
3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 232.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 58445668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).