(Z)-5,5-difluoro-4-methoxypent-3-en-2-one

C6H8F2O2 — CID 58098238

IUPAC(Z)-5,5-difluoro-4-methoxypent-3-en-2-one
SMILESCO/C(=C\C(C)=O)C(F)F
InChIInChI=1S/C6H8F2O2/c1-4(9)3-5(10-2)6(7)8/h3,6H,1-2H3/b5-3-
InChIKeyAVVCKHWZLQWZLK-HYXAFXHYSA-N
MW150.12 g/mol
LogP1.37
Rot. Bonds3

About (Z)-5,5-difluoro-4-methoxypent-3-en-2-one

(Z)-5,5-difluoro-4-methoxypent-3-en-2-one (PubChem CID 58098238) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is (Z)-5,5-difluoro-4-methoxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5-difluoro-4-methoxypent-3-en-2-one
PubChem CID58098238
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name(Z)-5,5-difluoro-4-methoxypent-3-en-2-one
SMILESCO/C(=C\C(C)=O)C(F)F
InChIInChI=1S/C6H8F2O2/c1-4(9)3-5(10-2)6(7)8/h3,6H,1-2H3/b5-3-
InChIKeyAVVCKHWZLQWZLK-HYXAFXHYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluoro-4-methoxypent-3-en-2-one?
The IUPAC name of (Z)-5,5-difluoro-4-methoxypent-3-en-2-one (CID 58098238) is (Z)-5,5-difluoro-4-methoxypent-3-en-2-one.
What is the SMILES notation for (Z)-5,5-difluoro-4-methoxypent-3-en-2-one?
The canonical SMILES for (Z)-5,5-difluoro-4-methoxypent-3-en-2-one is CO/C(=C\C(C)=O)C(F)F.
What is the InChIKey of (Z)-5,5-difluoro-4-methoxypent-3-en-2-one?
The InChIKey is AVVCKHWZLQWZLK-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-4(9)3-5(10-2)6(7)8/h3,6H,1-2H3/b5-3-.
What are the key properties of (Z)-5,5-difluoro-4-methoxypent-3-en-2-one?
(Z)-5,5-difluoro-4-methoxypent-3-en-2-one has a molecular weight of 150.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-4-methoxypent-3-en-2-one is sourced from PubChem (CID 58098238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).