(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one

C7H10F2O — CID 171582358

IUPAC(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C(F)=C\F
InChIInChI=1S/C7H10F2O/c1-7(2,3)6(10)5(9)4-8/h4H,1-3H3/b5-4+
InChIKeyVCOLLPAEXPPLMW-SNAWJCMRSA-N
MW148.15 g/mol
LogP2.38
Rot. Bonds1

About (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one

(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one (PubChem CID 171582358) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one
PubChem CID171582358
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C(F)=C\F
InChIInChI=1S/C7H10F2O/c1-7(2,3)6(10)5(9)4-8/h4H,1-3H3/b5-4+
InChIKeyVCOLLPAEXPPLMW-SNAWJCMRSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one?
The IUPAC name of (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one (CID 171582358) is (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one.
What is the SMILES notation for (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one?
The canonical SMILES for (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one is CC(C)(C)C(=O)/C(F)=C\F.
What is the InChIKey of (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one?
The InChIKey is VCOLLPAEXPPLMW-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H10F2O/c1-7(2,3)6(10)5(9)4-8/h4H,1-3H3/b5-4+.
What are the key properties of (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one?
(E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one has a molecular weight of 148.15 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-difluoro-4,4-dimethylpent-1-en-3-one is sourced from PubChem (CID 171582358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).