[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H19F3N2O3 — CID 46100230

IUPAC[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2ccccc2)C1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)17-7-6-15(10-23-17)18(25)24-8-9-27-16(11-24)13-26-12-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2
InChIKeyASBIITBESSLLLY-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.16
Rot. Bonds5

About [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 46100230) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID46100230
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2ccccc2)C1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)17-7-6-15(10-23-17)18(25)24-8-9-27-16(11-24)13-26-12-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2
InChIKeyASBIITBESSLLLY-UHFFFAOYSA-N
XLogP3.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 46100230) is [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2ccccc2)C1.
What is the InChIKey of [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is ASBIITBESSLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)17-7-6-15(10-23-17)18(25)24-8-9-27-16(11-24)13-26-12-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2.
What are the key properties of [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 380.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylmethoxymethyl)morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46100230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).