2-(difluoromethyl)-2-methylbutan-1-ol

C6H12F2O — CID 129071005

IUPAC2-(difluoromethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)C(F)F
InChIInChI=1S/C6H12F2O/c1-3-6(2,4-9)5(7)8/h5,9H,3-4H2,1-2H3
InChIKeyMBJISCCLXINCSO-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.66
Rot. Bonds3

About 2-(difluoromethyl)-2-methylbutan-1-ol

2-(difluoromethyl)-2-methylbutan-1-ol (PubChem CID 129071005) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methylbutan-1-ol
PubChem CID129071005
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name2-(difluoromethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)C(F)F
InChIInChI=1S/C6H12F2O/c1-3-6(2,4-9)5(7)8/h5,9H,3-4H2,1-2H3
InChIKeyMBJISCCLXINCSO-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-2-methylbutan-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-(difluoromethyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(difluoromethyl)-2-methylbutan-1-ol (CID 129071005) is 2-(difluoromethyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(difluoromethyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(difluoromethyl)-2-methylbutan-1-ol is CCC(C)(CO)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-2-methylbutan-1-ol?
The InChIKey is MBJISCCLXINCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-3-6(2,4-9)5(7)8/h5,9H,3-4H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-2-methylbutan-1-ol?
2-(difluoromethyl)-2-methylbutan-1-ol has a molecular weight of 138.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methylbutan-1-ol is sourced from PubChem (CID 129071005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).