2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride

C8H8F7NO — CID 138749646

IUPAC2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H8F7NO/c9-5(17)6(10,11)7(12,13)8(14,15)16-3-1-2-4-16/h1-4H2
InChIKeySEOUMGBHXFIGES-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.44
Rot. Bonds4

About 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride

2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride (PubChem CID 138749646) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride
PubChem CID138749646
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC Name2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H8F7NO/c9-5(17)6(10,11)7(12,13)8(14,15)16-3-1-2-4-16/h1-4H2
InChIKeySEOUMGBHXFIGES-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride (CID 138749646) is 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride is O=C(F)C(F)(F)C(F)(F)C(F)(F)N1CCCC1.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride?
The InChIKey is SEOUMGBHXFIGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c9-5(17)6(10,11)7(12,13)8(14,15)16-3-1-2-4-16/h1-4H2.
What are the key properties of 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride?
2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride has a molecular weight of 267.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride is sourced from PubChem (CID 138749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).