3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one

C6H7F4NO — CID 70524319

IUPAC3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1C(F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c7-4(6(8,9)10)3-1-2-11-5(3)12/h3-4H,1-2H2,(H,11,12)
InChIKeyMRWCDQPXNFYYRC-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.02
Rot. Bonds1

About 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one

3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one (PubChem CID 70524319) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one
PubChem CID70524319
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1C(F)C(F)(F)F
InChIInChI=1S/C6H7F4NO/c7-4(6(8,9)10)3-1-2-11-5(3)12/h3-4H,1-2H2,(H,11,12)
InChIKeyMRWCDQPXNFYYRC-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one (CID 70524319) is 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one is O=C1NCCC1C(F)C(F)(F)F.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The InChIKey is MRWCDQPXNFYYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c7-4(6(8,9)10)3-1-2-11-5(3)12/h3-4H,1-2H2,(H,11,12).
What are the key properties of 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one?
3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one has a molecular weight of 185.12 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 70524319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).