2,6-difluoro-4-morpholin-4-ylbenzonitrile

C11H10F2N2O — CID 11528682

IUPAC2,6-difluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C11H10F2N2O/c12-10-5-8(6-11(13)9(10)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyDGSWSOFEDBDJQS-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.67
Rot. Bonds1

About 2,6-difluoro-4-morpholin-4-ylbenzonitrile

2,6-difluoro-4-morpholin-4-ylbenzonitrile (PubChem CID 11528682) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,6-difluoro-4-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-morpholin-4-ylbenzonitrile
PubChem CID11528682
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2,6-difluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C11H10F2N2O/c12-10-5-8(6-11(13)9(10)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyDGSWSOFEDBDJQS-UHFFFAOYSA-N
XLogP1.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-morpholin-4-ylbenzonitrile?
The IUPAC name of 2,6-difluoro-4-morpholin-4-ylbenzonitrile (CID 11528682) is 2,6-difluoro-4-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-difluoro-4-morpholin-4-ylbenzonitrile?
The canonical SMILES for 2,6-difluoro-4-morpholin-4-ylbenzonitrile is N#Cc1c(F)cc(N2CCOCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-morpholin-4-ylbenzonitrile?
The InChIKey is DGSWSOFEDBDJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-10-5-8(6-11(13)9(10)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2.
What are the key properties of 2,6-difluoro-4-morpholin-4-ylbenzonitrile?
2,6-difluoro-4-morpholin-4-ylbenzonitrile has a molecular weight of 224.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 11528682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).