4,4-difluorohexa-1,5-dien-3-one

C6H6F2O — CID 54144679

IUPAC4,4-difluorohexa-1,5-dien-3-one
SMILESC=CC(=O)C(F)(F)C=C
InChIInChI=1S/C6H6F2O/c1-3-5(9)6(7,8)4-2/h3-4H,1-2H2
InChIKeyODNDKWJGTPIPAR-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.56
Rot. Bonds3

About 4,4-difluorohexa-1,5-dien-3-one

4,4-difluorohexa-1,5-dien-3-one (PubChem CID 54144679) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 4,4-difluorohexa-1,5-dien-3-one.

Molecular Properties

Compound Name4,4-difluorohexa-1,5-dien-3-one
PubChem CID54144679
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name4,4-difluorohexa-1,5-dien-3-one
SMILESC=CC(=O)C(F)(F)C=C
InChIInChI=1S/C6H6F2O/c1-3-5(9)6(7,8)4-2/h3-4H,1-2H2
InChIKeyODNDKWJGTPIPAR-UHFFFAOYSA-N
XLogP1.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoropent-1-en-3-one
CID 89392918
(3E)-4-amino-1,1,1-trifluorohexa-3,5-dien-2-one
CID 176670545
1-[3-(1,1-difluoro-2-oxobut-3-enoxy)propoxy]-1,1-difluorobut-3-en-2-one
CID 162215109
1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
5,5,5-trifluoropent-1-en-3-one
CID 12622108
trifluoromethyl prop-2-enoate
CID 10197737
3,3,3-trifluoroprop-1-ene
CID 90915807
azane;prop-2-enoyl fluoride
CID 175429328
ethene;prop-2-enoic acid;hydrate
CID 174424399
1,1,1-trifluoro-3,3-dimethylpent-4-en-2-one
CID 89210308
2-(trifluoromethyl)but-3-enoic acid
CID 87955946
prop-2-enoic acid;1,1,2,2-tetrafluoropropan-1-ol
CID 174597740

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorohexa-1,5-dien-3-one?
The IUPAC name of 4,4-difluorohexa-1,5-dien-3-one (CID 54144679) is 4,4-difluorohexa-1,5-dien-3-one.
What is the SMILES notation for 4,4-difluorohexa-1,5-dien-3-one?
The canonical SMILES for 4,4-difluorohexa-1,5-dien-3-one is C=CC(=O)C(F)(F)C=C.
What is the InChIKey of 4,4-difluorohexa-1,5-dien-3-one?
The InChIKey is ODNDKWJGTPIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c1-3-5(9)6(7,8)4-2/h3-4H,1-2H2.
What are the key properties of 4,4-difluorohexa-1,5-dien-3-one?
4,4-difluorohexa-1,5-dien-3-one has a molecular weight of 132.11 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorohexa-1,5-dien-3-one is sourced from PubChem (CID 54144679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).