6,6-difluoro-5-methylhex-5-en-2-one

C7H10F2O — CID 58962887

IUPAC6,6-difluoro-5-methylhex-5-en-2-one
SMILESCC(=O)CCC(C)=C(F)F
InChIInChI=1S/C7H10F2O/c1-5(7(8)9)3-4-6(2)10/h3-4H2,1-2H3
InChIKeyCFJFCINTZYRVRR-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.53
Rot. Bonds3

About 6,6-difluoro-5-methylhex-5-en-2-one

6,6-difluoro-5-methylhex-5-en-2-one (PubChem CID 58962887) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 6,6-difluoro-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name6,6-difluoro-5-methylhex-5-en-2-one
PubChem CID58962887
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name6,6-difluoro-5-methylhex-5-en-2-one
SMILESCC(=O)CCC(C)=C(F)F
InChIInChI=1S/C7H10F2O/c1-5(7(8)9)3-4-6(2)10/h3-4H2,1-2H3
InChIKeyCFJFCINTZYRVRR-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methylhex-5-en-2-one?
The IUPAC name of 6,6-difluoro-5-methylhex-5-en-2-one (CID 58962887) is 6,6-difluoro-5-methylhex-5-en-2-one.
What is the SMILES notation for 6,6-difluoro-5-methylhex-5-en-2-one?
The canonical SMILES for 6,6-difluoro-5-methylhex-5-en-2-one is CC(=O)CCC(C)=C(F)F.
What is the InChIKey of 6,6-difluoro-5-methylhex-5-en-2-one?
The InChIKey is CFJFCINTZYRVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(7(8)9)3-4-6(2)10/h3-4H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methylhex-5-en-2-one?
6,6-difluoro-5-methylhex-5-en-2-one has a molecular weight of 148.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methylhex-5-en-2-one is sourced from PubChem (CID 58962887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).