5-fluoropent-4-en-2-one

C5H7FO — CID 91046926

IUPAC5-fluoropent-4-en-2-one
SMILESCC(=O)CC=CF
InChIInChI=1S/C5H7FO/c1-5(7)3-2-4-6/h2,4H,3H2,1H3
InChIKeyAIWVHANKLGWXLZ-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.45
Rot. Bonds2

About 5-fluoropent-4-en-2-one

5-fluoropent-4-en-2-one (PubChem CID 91046926) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 5-fluoropent-4-en-2-one.

Molecular Properties

Compound Name5-fluoropent-4-en-2-one
PubChem CID91046926
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name5-fluoropent-4-en-2-one
SMILESCC(=O)CC=CF
InChIInChI=1S/C5H7FO/c1-5(7)3-2-4-6/h2,4H,3H2,1H3
InChIKeyAIWVHANKLGWXLZ-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropent-4-en-2-one?
The IUPAC name of 5-fluoropent-4-en-2-one (CID 91046926) is 5-fluoropent-4-en-2-one.
What is the SMILES notation for 5-fluoropent-4-en-2-one?
The canonical SMILES for 5-fluoropent-4-en-2-one is CC(=O)CC=CF.
What is the InChIKey of 5-fluoropent-4-en-2-one?
The InChIKey is AIWVHANKLGWXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-5(7)3-2-4-6/h2,4H,3H2,1H3.
What are the key properties of 5-fluoropent-4-en-2-one?
5-fluoropent-4-en-2-one has a molecular weight of 102.11 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropent-4-en-2-one is sourced from PubChem (CID 91046926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).