[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C13H21F3N2O3 — CID 114776715

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1(C)CN(C(=O)C2(C(F)(F)F)CCNC2)CC(CO)O1
InChIInChI=1S/C13H21F3N2O3/c1-11(2)8-18(5-9(6-19)21-11)10(20)12(13(14,15)16)3-4-17-7-12/h9,17,19H,3-8H2,1-2H3
InChIKeyZCHPXZXOEJHSBA-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.53
Rot. Bonds2

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 114776715) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID114776715
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCC1(C)CN(C(=O)C2(C(F)(F)F)CCNC2)CC(CO)O1
InChIInChI=1S/C13H21F3N2O3/c1-11(2)8-18(5-9(6-19)21-11)10(20)12(13(14,15)16)3-4-17-7-12/h9,17,19H,3-8H2,1-2H3
InChIKeyZCHPXZXOEJHSBA-UHFFFAOYSA-N
XLogP0.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981354
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
[4-(2-hydroxyethyl)piperazin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63708237
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243
2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 114776678
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79082179
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 114776715) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CC1(C)CN(C(=O)C2(C(F)(F)F)CCNC2)CC(CO)O1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is ZCHPXZXOEJHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-11(2)8-18(5-9(6-19)21-11)10(20)12(13(14,15)16)3-4-17-7-12/h9,17,19H,3-8H2,1-2H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 310.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 114776715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).