(E)-2,2,5-trifluoropent-4-enoyl fluoride

C5H4F4O — CID 175155314

IUPAC(E)-2,2,5-trifluoropent-4-enoyl fluoride
SMILESO=C(F)C(F)(F)C/C=C/F
InChIInChI=1S/C5H4F4O/c6-3-1-2-5(8,9)4(7)10/h1,3H,2H2/b3-1+
InChIKeyBAQOOGBDFMZSKR-HNQUOIGGSA-N
MW156.08 g/mol
LogP1.99
Rot. Bonds3

About (E)-2,2,5-trifluoropent-4-enoyl fluoride

(E)-2,2,5-trifluoropent-4-enoyl fluoride (PubChem CID 175155314) has the molecular formula C5H4F4O and a molecular weight of 156.08 g/mol. Its IUPAC name is (E)-2,2,5-trifluoropent-4-enoyl fluoride.

Molecular Properties

Compound Name(E)-2,2,5-trifluoropent-4-enoyl fluoride
PubChem CID175155314
Molecular FormulaC5H4F4O
Molecular Weight156.08 g/mol
Exact Mass156.02
IUPAC Name(E)-2,2,5-trifluoropent-4-enoyl fluoride
SMILESO=C(F)C(F)(F)C/C=C/F
InChIInChI=1S/C5H4F4O/c6-3-1-2-5(8,9)4(7)10/h1,3H,2H2/b3-1+
InChIKeyBAQOOGBDFMZSKR-HNQUOIGGSA-N
XLogP1.99
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 ≤ 51.99
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 (E)-2,2,5-trifluoropent-4-enoyl fluoride?
The IUPAC name of (E)-2,2,5-trifluoropent-4-enoyl fluoride (CID 175155314) is (E)-2,2,5-trifluoropent-4-enoyl fluoride.
What is the SMILES notation for (E)-2,2,5-trifluoropent-4-enoyl fluoride?
The canonical SMILES for (E)-2,2,5-trifluoropent-4-enoyl fluoride is O=C(F)C(F)(F)C/C=C/F.
What is the InChIKey of (E)-2,2,5-trifluoropent-4-enoyl fluoride?
The InChIKey is BAQOOGBDFMZSKR-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H4F4O/c6-3-1-2-5(8,9)4(7)10/h1,3H,2H2/b3-1+.
What are the key properties of (E)-2,2,5-trifluoropent-4-enoyl fluoride?
(E)-2,2,5-trifluoropent-4-enoyl fluoride has a molecular weight of 156.08 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,5-trifluoropent-4-enoyl fluoride is sourced from PubChem (CID 175155314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).