3,3,4,4-tetrafluoropyrrolidin-2-one

C4H3F4NO — CID 130608310

IUPAC3,3,4,4-tetrafluoropyrrolidin-2-one
SMILESO=C1NCC(F)(F)C1(F)F
InChIInChI=1S/C4H3F4NO/c5-3(6)1-9-2(10)4(3,7)8/h1H2,(H,9,10)
InChIKeyPCNIYHACCOLODD-UHFFFAOYSA-N
MW157.07 g/mol
LogP0.39
Rot. Bonds

About 3,3,4,4-tetrafluoropyrrolidin-2-one

3,3,4,4-tetrafluoropyrrolidin-2-one (PubChem CID 130608310) has the molecular formula C4H3F4NO and a molecular weight of 157.07 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoropyrrolidin-2-one.

Molecular Properties

Compound Name3,3,4,4-tetrafluoropyrrolidin-2-one
PubChem CID130608310
Molecular FormulaC4H3F4NO
Molecular Weight157.07 g/mol
Exact Mass157.02
IUPAC Name3,3,4,4-tetrafluoropyrrolidin-2-one
SMILESO=C1NCC(F)(F)C1(F)F
InChIInChI=1S/C4H3F4NO/c5-3(6)1-9-2(10)4(3,7)8/h1H2,(H,9,10)
InChIKeyPCNIYHACCOLODD-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.07
LogP ≤ 50.39
H-Bond Donors ≤ 51
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 3,3,4,4-tetrafluoropyrrolidin-2-one?
The IUPAC name of 3,3,4,4-tetrafluoropyrrolidin-2-one (CID 130608310) is 3,3,4,4-tetrafluoropyrrolidin-2-one.
What is the SMILES notation for 3,3,4,4-tetrafluoropyrrolidin-2-one?
The canonical SMILES for 3,3,4,4-tetrafluoropyrrolidin-2-one is O=C1NCC(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4-tetrafluoropyrrolidin-2-one?
The InChIKey is PCNIYHACCOLODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4NO/c5-3(6)1-9-2(10)4(3,7)8/h1H2,(H,9,10).
What are the key properties of 3,3,4,4-tetrafluoropyrrolidin-2-one?
3,3,4,4-tetrafluoropyrrolidin-2-one has a molecular weight of 157.07 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoropyrrolidin-2-one is sourced from PubChem (CID 130608310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).