2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile

C12H12F2N2O — CID 106531824

IUPAC2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1cc(F)cc(F)c1)N1CCOCC1
InChIInChI=1S/C12H12F2N2O/c13-10-5-9(6-11(14)7-10)12(8-15)16-1-3-17-4-2-16/h5-7,12H,1-4H2
InChIKeyWBISQVRVBCBCQS-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.86
Rot. Bonds2

About 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile

2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 106531824) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile
PubChem CID106531824
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1cc(F)cc(F)c1)N1CCOCC1
InChIInChI=1S/C12H12F2N2O/c13-10-5-9(6-11(14)7-10)12(8-15)16-1-3-17-4-2-16/h5-7,12H,1-4H2
InChIKeyWBISQVRVBCBCQS-UHFFFAOYSA-N
XLogP1.86
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile (CID 106531824) is 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile is N#CC(c1cc(F)cc(F)c1)N1CCOCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is WBISQVRVBCBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-10-5-9(6-11(14)7-10)12(8-15)16-1-3-17-4-2-16/h5-7,12H,1-4H2.
What are the key properties of 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile?
2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 238.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 106531824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).