4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile

C13H13F3N2O2 — CID 114469202

IUPAC4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCC2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)12-5-10(2-1-9(12)6-17)20-8-11-7-18-3-4-19-11/h1-2,5,11,18H,3-4,7-8H2
InChIKeyIVLKGIIDDQLNHF-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.94
Rot. Bonds3

About 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile

4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 114469202) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID114469202
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCC2CNCCO2)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)12-5-10(2-1-9(12)6-17)20-8-11-7-18-3-4-19-11/h1-2,5,11,18H,3-4,7-8H2
InChIKeyIVLKGIIDDQLNHF-UHFFFAOYSA-N
XLogP1.94
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
4-[5-[4-cyano-3-(trifluoromethyl)phenoxy]pentoxy]-2-(trifluoromethyl)benzonitrile
CID 11517854
4-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)benzonitrile
CID 82788933
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
CID 43138569
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
2-(morpholin-2-ylmethoxy)pyridine-4-carbonitrile
CID 114469059

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile (CID 114469202) is 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCC2CNCCO2)cc1C(F)(F)F.
What is the InChIKey of 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is IVLKGIIDDQLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)12-5-10(2-1-9(12)6-17)20-8-11-7-18-3-4-19-11/h1-2,5,11,18H,3-4,7-8H2.
What are the key properties of 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile?
4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 286.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 114469202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).