4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride

C5H4F8O — CID 91399303

IUPAC4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
SMILESF.O=C(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O.FH/c6-3(13)2(5(10,11)12)1-4(7,8)9;/h2H,1H2;1H
InChIKeyBPYYESQAUPSSQT-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.77
Rot. Bonds2

About 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride

4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride (PubChem CID 91399303) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
PubChem CID91399303
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
SMILESF.O=C(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O.FH/c6-3(13)2(5(10,11)12)1-4(7,8)9;/h2H,1H2;1H
InChIKeyBPYYESQAUPSSQT-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.77
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 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride?
The IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride (CID 91399303) is 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride.
What is the SMILES notation for 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride?
The canonical SMILES for 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride is F.O=C(F)C(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride?
The InChIKey is BPYYESQAUPSSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O.FH/c6-3(13)2(5(10,11)12)1-4(7,8)9;/h2H,1H2;1H.
What are the key properties of 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride?
4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride has a molecular weight of 232.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride is sourced from PubChem (CID 91399303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).