4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile

C19H15F3N2O2 — CID 166376970

IUPAC4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1ccc(C2CN(C(=O)c3c(F)cccc3C(F)F)CCO2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-15-3-1-2-14(18(21)22)17(15)19(25)24-8-9-26-16(11-24)13-6-4-12(10-23)5-7-13/h1-7,16,18H,8-9,11H2
InChIKeyNYKLAGAIYZILOG-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.85
Rot. Bonds3

About 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile

4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile (PubChem CID 166376970) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile
PubChem CID166376970
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1ccc(C2CN(C(=O)c3c(F)cccc3C(F)F)CCO2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-15-3-1-2-14(18(21)22)17(15)19(25)24-8-9-26-16(11-24)13-6-4-12(10-23)5-7-13/h1-7,16,18H,8-9,11H2
InChIKeyNYKLAGAIYZILOG-UHFFFAOYSA-N
XLogP3.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile?
The IUPAC name of 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile (CID 166376970) is 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile is N#Cc1ccc(C2CN(C(=O)c3c(F)cccc3C(F)F)CCO2)cc1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile?
The InChIKey is NYKLAGAIYZILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-15-3-1-2-14(18(21)22)17(15)19(25)24-8-9-26-16(11-24)13-6-4-12(10-23)5-7-13/h1-7,16,18H,8-9,11H2.
What are the key properties of 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile?
4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile has a molecular weight of 360.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile is sourced from PubChem (CID 166376970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).