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

C12H12F3NO — CID 114058152

IUPAC5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H12F3NO/c1-2-11-7(4-12(17)16-11)6-3-9(14)10(15)5-8(6)13/h3,5,7,11H,2,4H2,1H3,(H,16,17)
InChIKeyRHZPOMMPFFBGSN-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.49
Rot. Bonds2

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

5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one (PubChem CID 114058152) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one
PubChem CID114058152
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H12F3NO/c1-2-11-7(4-12(17)16-11)6-3-9(14)10(15)5-8(6)13/h3,5,7,11H,2,4H2,1H3,(H,16,17)
InChIKeyRHZPOMMPFFBGSN-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
CID 114058156
2-ethyl-5-methyl-3-(2,4,5-trifluorophenyl)pyrrolidine
CID 114058126
4,5-diethylpyrrolidin-2-one
CID 66107645
(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 45140503
4-(2-chloro-3,4-dimethoxyphenyl)-5-ethylpyrrolidin-2-one
CID 66106794
methyl (3R,4S)-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylate
CID 66790339
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
5-ethyl-4-(6-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 103348678
tert-butyl-[6-oxo-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamic acid
CID 77239680
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one (CID 114058152) is 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one is CCC1NC(=O)CC1c1cc(F)c(F)cc1F.
What is the InChIKey of 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one?
The InChIKey is RHZPOMMPFFBGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-2-11-7(4-12(17)16-11)6-3-9(14)10(15)5-8(6)13/h3,5,7,11H,2,4H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one?
5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2,4,5-trifluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 114058152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).