4-fluorobut-3-enoyl fluoride

C4H4F2O — CID 173276190

IUPAC4-fluorobut-3-enoyl fluoride
SMILESO=C(F)CC=CF
InChIInChI=1S/C4H4F2O/c5-3-1-2-4(6)7/h1,3H,2H2
InChIKeyYNFGHCODRFUQHX-UHFFFAOYSA-N
MW106.07 g/mol
LogP1.36
Rot. Bonds2

About 4-fluorobut-3-enoyl fluoride

4-fluorobut-3-enoyl fluoride (PubChem CID 173276190) has the molecular formula C4H4F2O and a molecular weight of 106.07 g/mol. Its IUPAC name is 4-fluorobut-3-enoyl fluoride.

Molecular Properties

Compound Name4-fluorobut-3-enoyl fluoride
PubChem CID173276190
Molecular FormulaC4H4F2O
Molecular Weight106.07 g/mol
Exact Mass106.02
IUPAC Name4-fluorobut-3-enoyl fluoride
SMILESO=C(F)CC=CF
InChIInChI=1S/C4H4F2O/c5-3-1-2-4(6)7/h1,3H,2H2
InChIKeyYNFGHCODRFUQHX-UHFFFAOYSA-N
XLogP1.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.07
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

But-3-enoyl fluoride
CID 11073342
4-Pentenoyl fluoride
CID 12099417
2,2-Difluoro-4-pentenoyl fluoride
CID 14597125
2,2-Difluorobut-3-enoyl fluoride
CID 19938694
5,5,5-Trifluoro-1-penten-4-one
CID 62962421
2-Fluorobut-3-enoyl fluoride
CID 88201788
2,4-Difluorobut-3-enal
CID 172995233
2,4-Difluorobut-3-enoyl fluoride
CID 173026532
2,2,3-Trifluoropent-4-enoyl fluoride
CID 175143237
(E)-2,2,5-trifluoropent-4-enoyl fluoride
CID 175155314
2-Methylbut-3-enoyl fluoride
CID 44471701
(2S)-2-methylbut-3-enoyl fluoride
CID 101490892

Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-enoyl fluoride?
The IUPAC name of 4-fluorobut-3-enoyl fluoride (CID 173276190) is 4-fluorobut-3-enoyl fluoride.
What is the SMILES notation for 4-fluorobut-3-enoyl fluoride?
The canonical SMILES for 4-fluorobut-3-enoyl fluoride is O=C(F)CC=CF.
What is the InChIKey of 4-fluorobut-3-enoyl fluoride?
The InChIKey is YNFGHCODRFUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O/c5-3-1-2-4(6)7/h1,3H,2H2.
What are the key properties of 4-fluorobut-3-enoyl fluoride?
4-fluorobut-3-enoyl fluoride has a molecular weight of 106.07 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-enoyl fluoride is sourced from PubChem (CID 173276190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).