2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one

C7H8F5NO — CID 45081128

IUPAC2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H2
InChIKeyDOHXORFAJVTGJT-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.81
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one

2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 45081128) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one
PubChem CID45081128
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(N1CCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H2
InChIKeyDOHXORFAJVTGJT-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one (CID 45081128) is 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one is O=C(N1CCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DOHXORFAJVTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c8-6(9,7(10,11)12)5(14)13-3-1-2-4-13/h1-4H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one?
2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 217.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 45081128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).