(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one

C12H13F3N2O2 — CID 174404057

IUPAC(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one
SMILESCN[C@@]1(c2ccccc2)CCN(OC(F)(F)F)C1=O
InChIInChI=1S/C12H13F3N2O2/c1-16-11(9-5-3-2-4-6-9)7-8-17(10(11)18)19-12(13,14)15/h2-6,16H,7-8H2,1H3/t11-/m1/s1
InChIKeyAQLOUFVPTXDEQR-LLVKDONJSA-N
MW274.24 g/mol
LogP1.78
Rot. Bonds3

About (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one

(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one (PubChem CID 174404057) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one
PubChem CID174404057
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one
SMILESCN[C@@]1(c2ccccc2)CCN(OC(F)(F)F)C1=O
InChIInChI=1S/C12H13F3N2O2/c1-16-11(9-5-3-2-4-6-9)7-8-17(10(11)18)19-12(13,14)15/h2-6,16H,7-8H2,1H3/t11-/m1/s1
InChIKeyAQLOUFVPTXDEQR-LLVKDONJSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one
CID 174374393
methoxymethane;methyl 2,2,3-trimethyl-3-[3-(methylamino)-2-oxo-3-phenylpyrrolidin-1-yl]butanoate
CID 91214808
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 132521429
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
CID 121014362
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
methyl 3-phenyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177326818
3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
CID 10833174
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one?
The IUPAC name of (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one (CID 174404057) is (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one is CN[C@@]1(c2ccccc2)CCN(OC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one?
The InChIKey is AQLOUFVPTXDEQR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-16-11(9-5-3-2-4-6-9)7-8-17(10(11)18)19-12(13,14)15/h2-6,16H,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one?
(3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-3-phenyl-1-(trifluoromethoxy)pyrrolidin-2-one is sourced from PubChem (CID 174404057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).