2,2-difluoroadamantan-1-ol

C10H14F2O — CID 155801706

IUPAC2,2-difluoroadamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1(F)F)C2
InChIInChI=1S/C10H14F2O/c11-10(12)8-2-6-1-7(3-8)5-9(10,13)4-6/h6-8,13H,1-5H2
InChIKeyYSJOVFQFUMGFIE-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.19
Rot. Bonds

About 2,2-difluoroadamantan-1-ol

2,2-difluoroadamantan-1-ol (PubChem CID 155801706) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 2,2-difluoroadamantan-1-ol.

Molecular Properties

Compound Name2,2-difluoroadamantan-1-ol
PubChem CID155801706
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2,2-difluoroadamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1(F)F)C2
InChIInChI=1S/C10H14F2O/c11-10(12)8-2-6-1-7(3-8)5-9(10,13)4-6/h6-8,13H,1-5H2
InChIKeyYSJOVFQFUMGFIE-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoroadamantan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroadamantan-1-ol?
The IUPAC name of 2,2-difluoroadamantan-1-ol (CID 155801706) is 2,2-difluoroadamantan-1-ol.
What is the SMILES notation for 2,2-difluoroadamantan-1-ol?
The canonical SMILES for 2,2-difluoroadamantan-1-ol is OC12CC3CC(CC(C3)C1(F)F)C2.
What is the InChIKey of 2,2-difluoroadamantan-1-ol?
The InChIKey is YSJOVFQFUMGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c11-10(12)8-2-6-1-7(3-8)5-9(10,13)4-6/h6-8,13H,1-5H2.
What are the key properties of 2,2-difluoroadamantan-1-ol?
2,2-difluoroadamantan-1-ol has a molecular weight of 188.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroadamantan-1-ol is sourced from PubChem (CID 155801706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).