5,5-difluoro-4-methylpent-4-en-2-one

C6H8F2O — CID 20758168

IUPAC5,5-difluoro-4-methylpent-4-en-2-one
SMILESCC(=O)CC(C)=C(F)F
InChIInChI=1S/C6H8F2O/c1-4(6(7)8)3-5(2)9/h3H2,1-2H3
InChIKeyYTANDQDCJIQGCM-UHFFFAOYSA-N
MW134.12 g/mol
LogP2.14
Rot. Bonds2

About 5,5-difluoro-4-methylpent-4-en-2-one

5,5-difluoro-4-methylpent-4-en-2-one (PubChem CID 20758168) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 5,5-difluoro-4-methylpent-4-en-2-one.

Molecular Properties

Compound Name5,5-difluoro-4-methylpent-4-en-2-one
PubChem CID20758168
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name5,5-difluoro-4-methylpent-4-en-2-one
SMILESCC(=O)CC(C)=C(F)F
InChIInChI=1S/C6H8F2O/c1-4(6(7)8)3-5(2)9/h3H2,1-2H3
InChIKeyYTANDQDCJIQGCM-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-methylpent-4-en-2-one?
The IUPAC name of 5,5-difluoro-4-methylpent-4-en-2-one (CID 20758168) is 5,5-difluoro-4-methylpent-4-en-2-one.
What is the SMILES notation for 5,5-difluoro-4-methylpent-4-en-2-one?
The canonical SMILES for 5,5-difluoro-4-methylpent-4-en-2-one is CC(=O)CC(C)=C(F)F.
What is the InChIKey of 5,5-difluoro-4-methylpent-4-en-2-one?
The InChIKey is YTANDQDCJIQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-4(6(7)8)3-5(2)9/h3H2,1-2H3.
What are the key properties of 5,5-difluoro-4-methylpent-4-en-2-one?
5,5-difluoro-4-methylpent-4-en-2-one has a molecular weight of 134.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-methylpent-4-en-2-one is sourced from PubChem (CID 20758168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).