2-(difluoromethylidene)cyclohexan-1-one

C7H8F2O — CID 141359780

IUPAC2-(difluoromethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=C(F)F
InChIInChI=1S/C7H8F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2
InChIKeyQYFQNQNMLSDOKY-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.28
Rot. Bonds

About 2-(difluoromethylidene)cyclohexan-1-one

2-(difluoromethylidene)cyclohexan-1-one (PubChem CID 141359780) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(difluoromethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(difluoromethylidene)cyclohexan-1-one
PubChem CID141359780
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name2-(difluoromethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=C(F)F
InChIInChI=1S/C7H8F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2
InChIKeyQYFQNQNMLSDOKY-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)cyclohexan-1-one?
The IUPAC name of 2-(difluoromethylidene)cyclohexan-1-one (CID 141359780) is 2-(difluoromethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(difluoromethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(difluoromethylidene)cyclohexan-1-one is O=C1CCCCC1=C(F)F.
What is the InChIKey of 2-(difluoromethylidene)cyclohexan-1-one?
The InChIKey is QYFQNQNMLSDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4H2.
What are the key properties of 2-(difluoromethylidene)cyclohexan-1-one?
2-(difluoromethylidene)cyclohexan-1-one has a molecular weight of 146.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)cyclohexan-1-one is sourced from PubChem (CID 141359780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).