5,5-difluoropent-4-enoyl fluoride

C5H5F3O — CID 150336204

IUPAC5,5-difluoropent-4-enoyl fluoride
SMILESO=C(F)CCC=C(F)F
InChIInChI=1S/C5H5F3O/c6-4(7)2-1-3-5(8)9/h2H,1,3H2
InChIKeyGQSLLJBJCDVXPD-UHFFFAOYSA-N
MW138.09 g/mol
LogP2.04
Rot. Bonds3

About 5,5-difluoropent-4-enoyl fluoride

5,5-difluoropent-4-enoyl fluoride (PubChem CID 150336204) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 5,5-difluoropent-4-enoyl fluoride.

Molecular Properties

Compound Name5,5-difluoropent-4-enoyl fluoride
PubChem CID150336204
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name5,5-difluoropent-4-enoyl fluoride
SMILESO=C(F)CCC=C(F)F
InChIInChI=1S/C5H5F3O/c6-4(7)2-1-3-5(8)9/h2H,1,3H2
InChIKeyGQSLLJBJCDVXPD-UHFFFAOYSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-enoyl fluoride?
The IUPAC name of 5,5-difluoropent-4-enoyl fluoride (CID 150336204) is 5,5-difluoropent-4-enoyl fluoride.
What is the SMILES notation for 5,5-difluoropent-4-enoyl fluoride?
The canonical SMILES for 5,5-difluoropent-4-enoyl fluoride is O=C(F)CCC=C(F)F.
What is the InChIKey of 5,5-difluoropent-4-enoyl fluoride?
The InChIKey is GQSLLJBJCDVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c6-4(7)2-1-3-5(8)9/h2H,1,3H2.
What are the key properties of 5,5-difluoropent-4-enoyl fluoride?
5,5-difluoropent-4-enoyl fluoride has a molecular weight of 138.09 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-enoyl fluoride is sourced from PubChem (CID 150336204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).