2,2-difluoro-3,3-dimethylpent-4-en-1-ol

C7H12F2O — CID 171076569

IUPAC2,2-difluoro-3,3-dimethylpent-4-en-1-ol
SMILESC=CC(C)(C)C(F)(F)CO
InChIInChI=1S/C7H12F2O/c1-4-6(2,3)7(8,9)5-10/h4,10H,1,5H2,2-3H3
InChIKeyAGDRYNBFGJKSFQ-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.83
Rot. Bonds3

About 2,2-difluoro-3,3-dimethylpent-4-en-1-ol

2,2-difluoro-3,3-dimethylpent-4-en-1-ol (PubChem CID 171076569) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylpent-4-en-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylpent-4-en-1-ol
PubChem CID171076569
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2,2-difluoro-3,3-dimethylpent-4-en-1-ol
SMILESC=CC(C)(C)C(F)(F)CO
InChIInChI=1S/C7H12F2O/c1-4-6(2,3)7(8,9)5-10/h4,10H,1,5H2,2-3H3
InChIKeyAGDRYNBFGJKSFQ-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-difluoro-3,3-dimethylpent-4-en-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-difluoro-3,3-dimethylpent-4-en-1-ol?
The IUPAC name of 2,2-difluoro-3,3-dimethylpent-4-en-1-ol (CID 171076569) is 2,2-difluoro-3,3-dimethylpent-4-en-1-ol.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylpent-4-en-1-ol?
The canonical SMILES for 2,2-difluoro-3,3-dimethylpent-4-en-1-ol is C=CC(C)(C)C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3,3-dimethylpent-4-en-1-ol?
The InChIKey is AGDRYNBFGJKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-4-6(2,3)7(8,9)5-10/h4,10H,1,5H2,2-3H3.
What are the key properties of 2,2-difluoro-3,3-dimethylpent-4-en-1-ol?
2,2-difluoro-3,3-dimethylpent-4-en-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylpent-4-en-1-ol is sourced from PubChem (CID 171076569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).