2,2-difluorobut-3-enoyl fluoride

C4H3F3O — CID 19938694

IUPAC2,2-difluorobut-3-enoyl fluoride
SMILESC=CC(F)(F)C(=O)F
InChIInChI=1S/C4H3F3O/c1-2-4(6,7)3(5)8/h2H,1H2
InChIKeyAQHRAYDOUUJUHM-UHFFFAOYSA-N
MW124.06 g/mol
LogP1.30
Rot. Bonds2

About 2,2-difluorobut-3-enoyl fluoride

2,2-difluorobut-3-enoyl fluoride (PubChem CID 19938694) has the molecular formula C4H3F3O and a molecular weight of 124.06 g/mol. Its IUPAC name is 2,2-difluorobut-3-enoyl fluoride.

Molecular Properties

Compound Name2,2-difluorobut-3-enoyl fluoride
PubChem CID19938694
Molecular FormulaC4H3F3O
Molecular Weight124.06 g/mol
Exact Mass124.01
IUPAC Name2,2-difluorobut-3-enoyl fluoride
SMILESC=CC(F)(F)C(=O)F
InChIInChI=1S/C4H3F3O/c1-2-4(6,7)3(5)8/h2H,1H2
InChIKeyAQHRAYDOUUJUHM-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 51.30
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

2,2-Difluoro-4-pentenoyl fluoride
CID 14597125
4,4,4-Trifluorobut-1-en-1-one
CID 53828157
2-Fluorobut-3-enoyl fluoride
CID 88201788
CH2=Chcf2cocf3
CID 130031711
2,4-Difluorobut-3-enoyl fluoride
CID 173026532
4-Fluorobut-3-enoyl fluoride
CID 173276190
3,3,4,4,4-Pentafluorobut-1-en-1-one
CID 154157783

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobut-3-enoyl fluoride?
The IUPAC name of 2,2-difluorobut-3-enoyl fluoride (CID 19938694) is 2,2-difluorobut-3-enoyl fluoride.
What is the SMILES notation for 2,2-difluorobut-3-enoyl fluoride?
The canonical SMILES for 2,2-difluorobut-3-enoyl fluoride is C=CC(F)(F)C(=O)F.
What is the InChIKey of 2,2-difluorobut-3-enoyl fluoride?
The InChIKey is AQHRAYDOUUJUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O/c1-2-4(6,7)3(5)8/h2H,1H2.
What are the key properties of 2,2-difluorobut-3-enoyl fluoride?
2,2-difluorobut-3-enoyl fluoride has a molecular weight of 124.06 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobut-3-enoyl fluoride is sourced from PubChem (CID 19938694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).