2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride

C7H8F5NO — CID 129208015

IUPAC2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5NO/c8-5(14)6(9,10)7(11,12)13-3-1-2-4-13/h1-4H2
InChIKeyFPXDUOIAMKQRFD-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.81
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride

2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride (PubChem CID 129208015) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride
PubChem CID129208015
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)N1CCCC1
InChIInChI=1S/C7H8F5NO/c8-5(14)6(9,10)7(11,12)13-3-1-2-4-13/h1-4H2
InChIKeyFPXDUOIAMKQRFD-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.81
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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Related Compounds

2,2,3,4,4,4-Hexafluoro-3-pyrrolidin-1-ylbutanoyl fluoride
CID 129207993
2-[Difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
CID 129208026
2,2,3,3,4,4-Hexafluoro-4-pyrrolidin-1-ylbutanoyl fluoride
CID 138749646
3-Pyrrolidin-1-ylpropanoyl fluoride
CID 139608245
2,2-Difluoro-2-pyrrolidin-1-ylacetyl fluoride
CID 156855365
2,2-Difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride
CID 170370459
3,3,3-trifluoro-1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one
CID 175876213
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-one
CID 43314819
2,3,3,3-Tetrafluoro-1-(pyrrolidin-1-yl)propan-1-one
CID 45080941
2,2,3,3,3-Pentafluoro-1-(pyrrolidin-1-yl)propan-1-one
CID 45081128
1-(3,3,3-Trifluoropropyl)pyrrolidin-3-one
CID 63227353
1,1,1-Trifluoro-4-(pyrrolidin-1-yl)butan-2-one
CID 82534998

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride?
The IUPAC name of 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride (CID 129208015) is 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride is O=C(F)C(F)(F)C(F)(F)N1CCCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride?
The InChIKey is FPXDUOIAMKQRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-5(14)6(9,10)7(11,12)13-3-1-2-4-13/h1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride?
2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride has a molecular weight of 217.14 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-pyrrolidin-1-ylpropanoyl fluoride is sourced from PubChem (CID 129208015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).