2,2,3-trifluoropent-4-enoyl fluoride

C5H4F4O — CID 175143237

IUPAC2,2,3-trifluoropent-4-enoyl fluoride
SMILESC=CC(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H4F4O/c1-2-3(6)5(8,9)4(7)10/h2-3H,1H2
InChIKeyNQBMMKPZSJARSY-UHFFFAOYSA-N
MW156.08 g/mol
LogP1.64
Rot. Bonds3

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

2,2,3-trifluoropent-4-enoyl fluoride (PubChem CID 175143237) has the molecular formula C5H4F4O and a molecular weight of 156.08 g/mol. Its IUPAC name is 2,2,3-trifluoropent-4-enoyl fluoride.

Molecular Properties

Compound Name2,2,3-trifluoropent-4-enoyl fluoride
PubChem CID175143237
Molecular FormulaC5H4F4O
Molecular Weight156.08 g/mol
Exact Mass156.02
IUPAC Name2,2,3-trifluoropent-4-enoyl fluoride
SMILESC=CC(F)C(F)(F)C(=O)F
InChIInChI=1S/C5H4F4O/c1-2-3(6)5(8,9)4(7)10/h2-3H,1H2
InChIKeyNQBMMKPZSJARSY-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoropent-4-enoyl fluoride?
The IUPAC name of 2,2,3-trifluoropent-4-enoyl fluoride (CID 175143237) is 2,2,3-trifluoropent-4-enoyl fluoride.
What is the SMILES notation for 2,2,3-trifluoropent-4-enoyl fluoride?
The canonical SMILES for 2,2,3-trifluoropent-4-enoyl fluoride is C=CC(F)C(F)(F)C(=O)F.
What is the InChIKey of 2,2,3-trifluoropent-4-enoyl fluoride?
The InChIKey is NQBMMKPZSJARSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O/c1-2-3(6)5(8,9)4(7)10/h2-3H,1H2.
What are the key properties of 2,2,3-trifluoropent-4-enoyl fluoride?
2,2,3-trifluoropent-4-enoyl fluoride has a molecular weight of 156.08 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoropent-4-enoyl fluoride is sourced from PubChem (CID 175143237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).