4-fluoro-2-(trifluoromethyl)butanoyl fluoride

C5H5F5O — CID 151926103

IUPAC4-fluoro-2-(trifluoromethyl)butanoyl fluoride
SMILESO=C(F)C(CCF)C(F)(F)F
InChIInChI=1S/C5H5F5O/c6-2-1-3(4(7)11)5(8,9)10/h3H,1-2H2
InChIKeySXUBIEXXXYGASK-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.02
Rot. Bonds3

About 4-fluoro-2-(trifluoromethyl)butanoyl fluoride

4-fluoro-2-(trifluoromethyl)butanoyl fluoride (PubChem CID 151926103) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 4-fluoro-2-(trifluoromethyl)butanoyl fluoride.

Molecular Properties

Compound Name4-fluoro-2-(trifluoromethyl)butanoyl fluoride
PubChem CID151926103
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name4-fluoro-2-(trifluoromethyl)butanoyl fluoride
SMILESO=C(F)C(CCF)C(F)(F)F
InChIInChI=1S/C5H5F5O/c6-2-1-3(4(7)11)5(8,9)10/h3H,1-2H2
InChIKeySXUBIEXXXYGASK-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.02
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

2-(trifluoromethyl)hexadecanoyl fluoride
CID 175023315
4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
CID 91399303
4,4,4-trifluoro-3-(fluoromethyl)butan-2-one
CID 141057354
methyl 3,3,3-trifluoro-2-(fluoromethyl)propanoate
CID 174453515
1,1,1,4-tetrafluorobutan-2-yl hydrogen carbonate
CID 87246671
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride
CID 154825637
3-fluoro-2-(trifluoromethoxy)propanoyl fluoride
CID 174926861
2-(trifluoromethyl)pentanoic acid
CID 20539748
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
methyl 3,3,3-trifluoro-2-(hydroxymethyl)propanoate
CID 84717436
3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
CID 139244935

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(trifluoromethyl)butanoyl fluoride?
The IUPAC name of 4-fluoro-2-(trifluoromethyl)butanoyl fluoride (CID 151926103) is 4-fluoro-2-(trifluoromethyl)butanoyl fluoride.
What is the SMILES notation for 4-fluoro-2-(trifluoromethyl)butanoyl fluoride?
The canonical SMILES for 4-fluoro-2-(trifluoromethyl)butanoyl fluoride is O=C(F)C(CCF)C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(trifluoromethyl)butanoyl fluoride?
The InChIKey is SXUBIEXXXYGASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c6-2-1-3(4(7)11)5(8,9)10/h3H,1-2H2.
What are the key properties of 4-fluoro-2-(trifluoromethyl)butanoyl fluoride?
4-fluoro-2-(trifluoromethyl)butanoyl fluoride has a molecular weight of 176.08 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(trifluoromethyl)butanoyl fluoride is sourced from PubChem (CID 151926103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).