[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C14H22F3NO3 — CID 102934496

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC(CO)O1
InChIInChI=1S/C14H22F3NO3/c1-9-6-18(7-12(8-19)21-9)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyHYSKWFBNRRDIMZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.96
Rot. Bonds2

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 102934496) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID102934496
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC(CO)O1
InChIInChI=1S/C14H22F3NO3/c1-9-6-18(7-12(8-19)21-9)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3
InChIKeyHYSKWFBNRRDIMZ-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 102932999
[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937329
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 102934496) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is CC1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HYSKWFBNRRDIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-9-6-18(7-12(8-19)21-9)13(20)10-2-4-11(5-3-10)14(15,16)17/h9-12,19H,2-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 309.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 102934496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).