(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone

C12H19F3N2O3 — CID 136541186

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
SMILESCC1(O)CCN(C(=O)C2COCCN2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-11(19)2-3-17(7-11)10(18)9-6-20-5-4-16(9)8-12(13,14)15/h9,19H,2-8H2,1H3
InChIKeyNPDHWJHOZBKISA-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.23
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone (PubChem CID 136541186) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
PubChem CID136541186
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
SMILESCC1(O)CCN(C(=O)C2COCCN2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-11(19)2-3-17(7-11)10(18)9-6-20-5-4-16(9)8-12(13,14)15/h9,19H,2-8H2,1H3
InChIKeyNPDHWJHOZBKISA-UHFFFAOYSA-N
XLogP0.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 100757302
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[(3S)-4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
CID 59285794
(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124854101
1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874906
N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126810442
(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007228
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 154741387
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 103773754
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone (CID 136541186) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone is CC1(O)CCN(C(=O)C2COCCN2CC(F)(F)F)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone?
The InChIKey is NPDHWJHOZBKISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-11(19)2-3-17(7-11)10(18)9-6-20-5-4-16(9)8-12(13,14)15/h9,19H,2-8H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone has a molecular weight of 296.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone is sourced from PubChem (CID 136541186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).