[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

C13H20F3NO3 — CID 81456302

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1CCOC(CO)C1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-2-9(6-10)12(19)17-4-5-20-11(7-17)8-18/h9-11,18H,1-8H2
InChIKeyITGDPOADEPTKCB-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.57
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 81456302) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID81456302
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1CCOC(CO)C1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-2-9(6-10)12(19)17-4-5-20-11(7-17)8-18/h9-11,18H,1-8H2
InChIKeyITGDPOADEPTKCB-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone (CID 81456302) is [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCC(C(F)(F)F)C1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ITGDPOADEPTKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-2-9(6-10)12(19)17-4-5-20-11(7-17)8-18/h9-11,18H,1-8H2.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone?
[2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 295.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 81456302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).