1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one

C6H6F5NO — CID 22572617

IUPAC1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c7-5(8,9)6(10,11)12-3-1-2-4(12)13/h1-3H2
InChIKeyDFNYAOBGNLETIQ-UHFFFAOYSA-N
MW203.11 g/mol
LogP1.76
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one

1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one (PubChem CID 22572617) has the molecular formula C6H6F5NO and a molecular weight of 203.11 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one
PubChem CID22572617
Molecular FormulaC6H6F5NO
Molecular Weight203.11 g/mol
Exact Mass203.04
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c7-5(8,9)6(10,11)12-3-1-2-4(12)13/h1-3H2
InChIKeyDFNYAOBGNLETIQ-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one (CID 22572617) is 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one is O=C1CCCN1C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one?
The InChIKey is DFNYAOBGNLETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NO/c7-5(8,9)6(10,11)12-3-1-2-4(12)13/h1-3H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one?
1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one has a molecular weight of 203.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 22572617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).