2-fluoro-6-morpholin-4-ylbenzonitrile

C11H11FN2O — CID 654627

IUPAC2-fluoro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C11H11FN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyKDNYXKJTNUCDAL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.53
Rot. Bonds1

About 2-fluoro-6-morpholin-4-ylbenzonitrile

2-fluoro-6-morpholin-4-ylbenzonitrile (PubChem CID 654627) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-fluoro-6-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-morpholin-4-ylbenzonitrile
PubChem CID654627
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-fluoro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(F)cccc1N1CCOCC1
InChIInChI=1S/C11H11FN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyKDNYXKJTNUCDAL-UHFFFAOYSA-N
XLogP1.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-morpholin-4-ylbenzonitrile?
The IUPAC name of 2-fluoro-6-morpholin-4-ylbenzonitrile (CID 654627) is 2-fluoro-6-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-morpholin-4-ylbenzonitrile?
The canonical SMILES for 2-fluoro-6-morpholin-4-ylbenzonitrile is N#Cc1c(F)cccc1N1CCOCC1.
What is the InChIKey of 2-fluoro-6-morpholin-4-ylbenzonitrile?
The InChIKey is KDNYXKJTNUCDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2.
What are the key properties of 2-fluoro-6-morpholin-4-ylbenzonitrile?
2-fluoro-6-morpholin-4-ylbenzonitrile has a molecular weight of 206.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 654627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).