4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

C10H8F3NO — CID 66107174

IUPAC4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(F)c(F)c(F)c2)CN1
InChIInChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15)
InChIKeyBWUUWAXTSJRLLP-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.71
Rot. Bonds1

About 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

4-(3,4,5-trifluorophenyl)pyrrolidin-2-one (PubChem CID 66107174) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
PubChem CID66107174
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(F)c(F)c(F)c2)CN1
InChIInChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15)
InChIKeyBWUUWAXTSJRLLP-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one (CID 66107174) is 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one is O=C1CC(c2cc(F)c(F)c(F)c2)CN1.
What is the InChIKey of 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
The InChIKey is BWUUWAXTSJRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15).
What are the key properties of 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one?
4-(3,4,5-trifluorophenyl)pyrrolidin-2-one has a molecular weight of 215.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trifluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 66107174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).