2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 43544774

IUPAC2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile
SMILESCC1CN(c2ccc(C(F)(F)F)cc2C#N)C(C)CO1
InChIInChI=1S/C14H15F3N2O/c1-9-8-20-10(2)7-19(9)13-4-3-12(14(15,16)17)5-11(13)6-18/h3-5,9-10H,7-8H2,1-2H3
InChIKeyZGZMEVYCLLCKDA-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.19
Rot. Bonds1

About 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile

2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile (PubChem CID 43544774) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile
PubChem CID43544774
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile
SMILESCC1CN(c2ccc(C(F)(F)F)cc2C#N)C(C)CO1
InChIInChI=1S/C14H15F3N2O/c1-9-8-20-10(2)7-19(9)13-4-3-12(14(15,16)17)5-11(13)6-18/h3-5,9-10H,7-8H2,1-2H3
InChIKeyZGZMEVYCLLCKDA-UHFFFAOYSA-N
XLogP3.19
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile (CID 43544774) is 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile is CC1CN(c2ccc(C(F)(F)F)cc2C#N)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile?
The InChIKey is ZGZMEVYCLLCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9-8-20-10(2)7-19(9)13-4-3-12(14(15,16)17)5-11(13)6-18/h3-5,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile?
2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43544774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).