2-(difluoromethylidene)pentan-1-ol

C6H10F2O — CID 167540478

IUPAC2-(difluoromethylidene)pentan-1-ol
SMILESCCCC(CO)=C(F)F
InChIInChI=1S/C6H10F2O/c1-2-3-5(4-9)6(7)8/h9H,2-4H2,1H3
InChIKeyPLTIDQRAVUJFPT-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.93
Rot. Bonds3

About 2-(difluoromethylidene)pentan-1-ol

2-(difluoromethylidene)pentan-1-ol (PubChem CID 167540478) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2-(difluoromethylidene)pentan-1-ol.

Molecular Properties

Compound Name2-(difluoromethylidene)pentan-1-ol
PubChem CID167540478
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2-(difluoromethylidene)pentan-1-ol
SMILESCCCC(CO)=C(F)F
InChIInChI=1S/C6H10F2O/c1-2-3-5(4-9)6(7)8/h9H,2-4H2,1H3
InChIKeyPLTIDQRAVUJFPT-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethylidene)pentan-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-(difluoromethylidene)pentan-1-ol?
The IUPAC name of 2-(difluoromethylidene)pentan-1-ol (CID 167540478) is 2-(difluoromethylidene)pentan-1-ol.
What is the SMILES notation for 2-(difluoromethylidene)pentan-1-ol?
The canonical SMILES for 2-(difluoromethylidene)pentan-1-ol is CCCC(CO)=C(F)F.
What is the InChIKey of 2-(difluoromethylidene)pentan-1-ol?
The InChIKey is PLTIDQRAVUJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-2-3-5(4-9)6(7)8/h9H,2-4H2,1H3.
What are the key properties of 2-(difluoromethylidene)pentan-1-ol?
2-(difluoromethylidene)pentan-1-ol has a molecular weight of 136.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)pentan-1-ol is sourced from PubChem (CID 167540478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).