4-(difluoromethylidene)cyclohexa-2,5-dien-1-one

C7H4F2O — CID 71353476

IUPAC4-(difluoromethylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C(F)F)C=C1
InChIInChI=1S/C7H4F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H
InChIKeyNCNVHAYDTKINCS-UHFFFAOYSA-N
MW142.10 g/mol
LogP1.83
Rot. Bonds

About 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one

4-(difluoromethylidene)cyclohexa-2,5-dien-1-one (PubChem CID 71353476) has the molecular formula C7H4F2O and a molecular weight of 142.10 g/mol. Its IUPAC name is 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-(difluoromethylidene)cyclohexa-2,5-dien-1-one
PubChem CID71353476
Molecular FormulaC7H4F2O
Molecular Weight142.10 g/mol
Exact Mass142.02
IUPAC Name4-(difluoromethylidene)cyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(=C(F)F)C=C1
InChIInChI=1S/C7H4F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H
InChIKeyNCNVHAYDTKINCS-UHFFFAOYSA-N
XLogP1.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one (CID 71353476) is 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one is O=C1C=CC(=C(F)F)C=C1.
What is the InChIKey of 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one?
The InChIKey is NCNVHAYDTKINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H.
What are the key properties of 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one?
4-(difluoromethylidene)cyclohexa-2,5-dien-1-one has a molecular weight of 142.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 71353476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).