3,4,5,5-tetrafluoro-1-methylpyrrol-2-one

C5H3F4NO — CID 12689875

IUPAC3,4,5,5-tetrafluoro-1-methylpyrrol-2-one
SMILESCN1C(=O)C(F)=C(F)C1(F)F
InChIInChI=1S/C5H3F4NO/c1-10-4(11)2(6)3(7)5(10,8)9/h1H3
InChIKeyQUTKPAJRSAHURD-UHFFFAOYSA-N
MW169.08 g/mol
LogP1.20
Rot. Bonds

About 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one

3,4,5,5-tetrafluoro-1-methylpyrrol-2-one (PubChem CID 12689875) has the molecular formula C5H3F4NO and a molecular weight of 169.08 g/mol. Its IUPAC name is 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one.

Molecular Properties

Compound Name3,4,5,5-tetrafluoro-1-methylpyrrol-2-one
PubChem CID12689875
Molecular FormulaC5H3F4NO
Molecular Weight169.08 g/mol
Exact Mass169.02
IUPAC Name3,4,5,5-tetrafluoro-1-methylpyrrol-2-one
SMILESCN1C(=O)C(F)=C(F)C1(F)F
InChIInChI=1S/C5H3F4NO/c1-10-4(11)2(6)3(7)5(10,8)9/h1H3
InChIKeyQUTKPAJRSAHURD-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one?
The IUPAC name of 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one (CID 12689875) is 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one.
What is the SMILES notation for 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one?
The canonical SMILES for 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one is CN1C(=O)C(F)=C(F)C1(F)F.
What is the InChIKey of 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one?
The InChIKey is QUTKPAJRSAHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4NO/c1-10-4(11)2(6)3(7)5(10,8)9/h1H3.
What are the key properties of 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one?
3,4,5,5-tetrafluoro-1-methylpyrrol-2-one has a molecular weight of 169.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetrafluoro-1-methylpyrrol-2-one is sourced from PubChem (CID 12689875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).