2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile

C12H12ClFN2O — CID 67533209

IUPAC2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H12ClFN2O/c13-10-7-9(1-2-11(10)14)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6H2
InChIKeyQDIUMYLKFVQFIH-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.38
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile

2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 67533209) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
PubChem CID67533209
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(F)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C12H12ClFN2O/c13-10-7-9(1-2-11(10)14)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6H2
InChIKeyQDIUMYLKFVQFIH-UHFFFAOYSA-N
XLogP2.38
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
CID 90219831
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
2-(3-chlorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350143
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756934
2-(1,4-diazepan-1-yl)-2-(3,4-difluorophenyl)acetonitrile
CID 54889244
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile (CID 67533209) is 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile is N#CC(c1ccc(F)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is QDIUMYLKFVQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-10-7-9(1-2-11(10)14)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile?
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 254.69 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 67533209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).