4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile

C13H15FN2O — CID 43656999

IUPAC4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile
SMILESCC1CN(c2ccc(C#N)cc2F)CC(C)O1
InChIInChI=1S/C13H15FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,7-8H2,1-2H3
InChIKeyOIZWFBVKNXUGNB-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.31
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile

4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile (PubChem CID 43656999) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile
PubChem CID43656999
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile
SMILESCC1CN(c2ccc(C#N)cc2F)CC(C)O1
InChIInChI=1S/C13H15FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,7-8H2,1-2H3
InChIKeyOIZWFBVKNXUGNB-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile (CID 43656999) is 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile is CC1CN(c2ccc(C#N)cc2F)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile?
The InChIKey is OIZWFBVKNXUGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9-7-16(8-10(2)17-9)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile?
4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 43656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).