2,2-difluoropent-4-enoyl fluoride

C5H5F3O — CID 14597125

IUPAC2,2-difluoropent-4-enoyl fluoride
SMILESC=CCC(F)(F)C(=O)F
InChIInChI=1S/C5H5F3O/c1-2-3-5(7,8)4(6)9/h2H,1,3H2
InChIKeyPRXPTZFQQNBHGH-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.69
Rot. Bonds3

About 2,2-difluoropent-4-enoyl fluoride

2,2-difluoropent-4-enoyl fluoride (PubChem CID 14597125) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 2,2-difluoropent-4-enoyl fluoride.

Molecular Properties

Compound Name2,2-difluoropent-4-enoyl fluoride
PubChem CID14597125
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name2,2-difluoropent-4-enoyl fluoride
SMILESC=CCC(F)(F)C(=O)F
InChIInChI=1S/C5H5F3O/c1-2-3-5(7,8)4(6)9/h2H,1,3H2
InChIKeyPRXPTZFQQNBHGH-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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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Related Compounds

But-3-enoyl fluoride
CID 11073342
4-Pentenoyl fluoride
CID 12099417
2,2-Difluorobut-3-enoyl fluoride
CID 19938694
1,1,1-Trifluorohex-5-en-2-one
CID 20543323
1,1,1,3,3-Pentafluorohex-5-en-2-one
CID 21062402
2,2-Difluoropent-4-enal
CID 23566279
1,1,3,3-Tetrafluorohex-5-en-2-one
CID 58705068
5,5,5-Trifluoro-1-penten-4-one
CID 62962421
2-Fluorobut-3-enoyl fluoride
CID 88201788
1,1-Difluorohex-5-en-2-one
CID 112574470
2,4-Difluorobut-3-enoyl fluoride
CID 173026532
4-Fluorobut-3-enoyl fluoride
CID 173276190

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropent-4-enoyl fluoride?
The IUPAC name of 2,2-difluoropent-4-enoyl fluoride (CID 14597125) is 2,2-difluoropent-4-enoyl fluoride.
What is the SMILES notation for 2,2-difluoropent-4-enoyl fluoride?
The canonical SMILES for 2,2-difluoropent-4-enoyl fluoride is C=CCC(F)(F)C(=O)F.
What is the InChIKey of 2,2-difluoropent-4-enoyl fluoride?
The InChIKey is PRXPTZFQQNBHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-2-3-5(7,8)4(6)9/h2H,1,3H2.
What are the key properties of 2,2-difluoropent-4-enoyl fluoride?
2,2-difluoropent-4-enoyl fluoride has a molecular weight of 138.09 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropent-4-enoyl fluoride is sourced from PubChem (CID 14597125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).