2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile

C12H13FN2O — CID 115110993

IUPAC2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile
SMILESN#CCc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C12H13FN2O/c13-11-2-1-10(3-4-14)12(9-11)15-5-7-16-8-6-15/h1-2,9H,3,5-8H2
InChIKeyIBQFCQWEKCOJBX-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile

2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile (PubChem CID 115110993) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile
PubChem CID115110993
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile
SMILESN#CCc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C12H13FN2O/c13-11-2-1-10(3-4-14)12(9-11)15-5-7-16-8-6-15/h1-2,9H,3,5-8H2
InChIKeyIBQFCQWEKCOJBX-UHFFFAOYSA-N
XLogP1.73
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile 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 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile?
The IUPAC name of 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile (CID 115110993) is 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile is N#CCc1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile?
The InChIKey is IBQFCQWEKCOJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-11-2-1-10(3-4-14)12(9-11)15-5-7-16-8-6-15/h1-2,9H,3,5-8H2.
What are the key properties of 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile?
2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-morpholin-4-ylphenyl)acetonitrile is sourced from PubChem (CID 115110993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).