3,3-difluoro-5-methylhex-5-en-2-one

C7H10F2O — CID 159283552

IUPAC3,3-difluoro-5-methylhex-5-en-2-one
SMILESC=C(C)CC(F)(F)C(C)=O
InChIInChI=1S/C7H10F2O/c1-5(2)4-7(8,9)6(3)10/h1,4H2,2-3H3
InChIKeyKZFKFFDQOOHGKK-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.18
Rot. Bonds3

About 3,3-difluoro-5-methylhex-5-en-2-one

3,3-difluoro-5-methylhex-5-en-2-one (PubChem CID 159283552) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 3,3-difluoro-5-methylhex-5-en-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-methylhex-5-en-2-one
PubChem CID159283552
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name3,3-difluoro-5-methylhex-5-en-2-one
SMILESC=C(C)CC(F)(F)C(C)=O
InChIInChI=1S/C7H10F2O/c1-5(2)4-7(8,9)6(3)10/h1,4H2,2-3H3
InChIKeyKZFKFFDQOOHGKK-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methylhex-5-en-2-one?
The IUPAC name of 3,3-difluoro-5-methylhex-5-en-2-one (CID 159283552) is 3,3-difluoro-5-methylhex-5-en-2-one.
What is the SMILES notation for 3,3-difluoro-5-methylhex-5-en-2-one?
The canonical SMILES for 3,3-difluoro-5-methylhex-5-en-2-one is C=C(C)CC(F)(F)C(C)=O.
What is the InChIKey of 3,3-difluoro-5-methylhex-5-en-2-one?
The InChIKey is KZFKFFDQOOHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(2)4-7(8,9)6(3)10/h1,4H2,2-3H3.
What are the key properties of 3,3-difluoro-5-methylhex-5-en-2-one?
3,3-difluoro-5-methylhex-5-en-2-one has a molecular weight of 148.15 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylhex-5-en-2-one is sourced from PubChem (CID 159283552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).