1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol

C9H16F2O — CID 134373254

IUPAC1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol
SMILESCCC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C9H16F2O/c1-3-7(12)9(10,11)8(2)5-4-6-8/h7,12H,3-6H2,1-2H3
InChIKeyKPPLGCZDUJNQNN-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.58
Rot. Bonds3

About 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol

1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol (PubChem CID 134373254) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol
PubChem CID134373254
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol
SMILESCCC(O)C(F)(F)C1(C)CCC1
InChIInChI=1S/C9H16F2O/c1-3-7(12)9(10,11)8(2)5-4-6-8/h7,12H,3-6H2,1-2H3
InChIKeyKPPLGCZDUJNQNN-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-1-(1-methylcyclobutyl)butan-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 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol?
The IUPAC name of 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol (CID 134373254) is 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol is CCC(O)C(F)(F)C1(C)CCC1.
What is the InChIKey of 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol?
The InChIKey is KPPLGCZDUJNQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-3-7(12)9(10,11)8(2)5-4-6-8/h7,12H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol?
1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol has a molecular weight of 178.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1-methylcyclobutyl)butan-2-ol is sourced from PubChem (CID 134373254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).