3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C14H16F4N2O2 — CID 71975576

IUPAC3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCOc1cc(F)ccc1NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H16F4N2O2/c1-2-22-12-7-9(15)3-4-10(12)19-11-5-6-20(13(11)21)8-14(16,17)18/h3-4,7,11,19H,2,5-6,8H2,1H3
InChIKeyBEOSYQCHMCGOAE-UHFFFAOYSA-N
MW320.29 g/mol
LogP2.80
Rot. Bonds5

About 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 71975576) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID71975576
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCOc1cc(F)ccc1NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H16F4N2O2/c1-2-22-12-7-9(15)3-4-10(12)19-11-5-6-20(13(11)21)8-14(16,17)18/h3-4,7,11,19H,2,5-6,8H2,1H3
InChIKeyBEOSYQCHMCGOAE-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-1-methylpyrrolidin-2-one
CID 96568047
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84586099
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
(3S)-1-cyclopropyl-3-(4-fluoro-2-prop-2-ynoxyanilino)pyrrolidin-2-one
CID 96568064
N-(2-ethoxy-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43730186
N-(2-ethoxy-4-fluorophenyl)-1-oxothian-4-amine
CID 54981381
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
3-(3,5-dimethoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;(Z)-1-fluoroprop-1-ene
CID 176696160
(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99820138
N-(2-ethoxy-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840390

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 71975576) is 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CCOc1cc(F)ccc1NC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is BEOSYQCHMCGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2/c1-2-22-12-7-9(15)3-4-10(12)19-11-5-6-20(13(11)21)8-14(16,17)18/h3-4,7,11,19H,2,5-6,8H2,1H3.
What are the key properties of 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 320.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 71975576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).