2,2,3,3,4-pentafluoropent-4-enoyl fluoride

C5H2F6O — CID 59934943

IUPAC2,2,3,3,4-pentafluoropent-4-enoyl fluoride
SMILESC=C(F)C(F)(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H2F6O/c1-2(6)4(8,9)5(10,11)3(7)12/h1H2
InChIKeyWNXWWRJTCDZJNH-UHFFFAOYSA-N
MW192.06 g/mol
LogP2.24
Rot. Bonds3

About 2,2,3,3,4-pentafluoropent-4-enoyl fluoride

2,2,3,3,4-pentafluoropent-4-enoyl fluoride (PubChem CID 59934943) has the molecular formula C5H2F6O and a molecular weight of 192.06 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoropent-4-enoyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoropent-4-enoyl fluoride
PubChem CID59934943
Molecular FormulaC5H2F6O
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name2,2,3,3,4-pentafluoropent-4-enoyl fluoride
SMILESC=C(F)C(F)(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H2F6O/c1-2(6)4(8,9)5(10,11)3(7)12/h1H2
InChIKeyWNXWWRJTCDZJNH-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluoropent-4-enoyl fluoride?
The IUPAC name of 2,2,3,3,4-pentafluoropent-4-enoyl fluoride (CID 59934943) is 2,2,3,3,4-pentafluoropent-4-enoyl fluoride.
What is the SMILES notation for 2,2,3,3,4-pentafluoropent-4-enoyl fluoride?
The canonical SMILES for 2,2,3,3,4-pentafluoropent-4-enoyl fluoride is C=C(F)C(F)(F)C(F)(F)C(=O)F.
What is the InChIKey of 2,2,3,3,4-pentafluoropent-4-enoyl fluoride?
The InChIKey is WNXWWRJTCDZJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O/c1-2(6)4(8,9)5(10,11)3(7)12/h1H2.
What are the key properties of 2,2,3,3,4-pentafluoropent-4-enoyl fluoride?
2,2,3,3,4-pentafluoropent-4-enoyl fluoride has a molecular weight of 192.06 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluoropent-4-enoyl fluoride is sourced from PubChem (CID 59934943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).