1,1-difluoronon-1-en-4-one

C9H14F2O — CID 15651616

IUPAC1,1-difluoronon-1-en-4-one
SMILESCCCCCC(=O)CC=C(F)F
InChIInChI=1S/C9H14F2O/c1-2-3-4-5-8(12)6-7-9(10)11/h7H,2-6H2,1H3
InChIKeyZZBPOHSSZZHYAC-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.31
Rot. Bonds6

About 1,1-difluoronon-1-en-4-one

1,1-difluoronon-1-en-4-one (PubChem CID 15651616) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1,1-difluoronon-1-en-4-one.

Molecular Properties

Compound Name1,1-difluoronon-1-en-4-one
PubChem CID15651616
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1,1-difluoronon-1-en-4-one
SMILESCCCCCC(=O)CC=C(F)F
InChIInChI=1S/C9H14F2O/c1-2-3-4-5-8(12)6-7-9(10)11/h7H,2-6H2,1H3
InChIKeyZZBPOHSSZZHYAC-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoronon-1-en-4-one 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-difluoronon-1-en-4-one?
The IUPAC name of 1,1-difluoronon-1-en-4-one (CID 15651616) is 1,1-difluoronon-1-en-4-one.
What is the SMILES notation for 1,1-difluoronon-1-en-4-one?
The canonical SMILES for 1,1-difluoronon-1-en-4-one is CCCCCC(=O)CC=C(F)F.
What is the InChIKey of 1,1-difluoronon-1-en-4-one?
The InChIKey is ZZBPOHSSZZHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-2-3-4-5-8(12)6-7-9(10)11/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoronon-1-en-4-one?
1,1-difluoronon-1-en-4-one has a molecular weight of 176.21 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoronon-1-en-4-one is sourced from PubChem (CID 15651616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).