(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C12H19F3N2O2 — CID 95619611

IUPAC(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCO1
InChIInChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGIAVROQTFBHPHD-VHSXEESVSA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds3

About (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 95619611) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID95619611
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCO1
InChIInChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGIAVROQTFBHPHD-VHSXEESVSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111442440
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 120775548
1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one
CID 126831570
(3S)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 100848210
3-(4-methylsulfonylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75469540
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 130236749
(3R)-3-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97325824
4-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 97084940
(3S)-3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95619582
3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163356065
2-ethyl-4-hydroxymorpholine
CID 70429179
3-[5-(5-chloro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163354486

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 95619611) is (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCO1.
What is the InChIKey of (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GIAVROQTFBHPHD-VHSXEESVSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 280.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-ethylmorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 95619611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).