2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride

C12H14ClFN2O — CID 45261443

IUPAC2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccccc1F)N1CCOCC1
InChIInChI=1S/C12H13FN2O.ClH/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15;/h1-4,12H,5-8H2;1H
InChIKeyAKQUQSDQUSAVAE-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.14
Rot. Bonds2

About 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride

2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride (PubChem CID 45261443) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
PubChem CID45261443
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
SMILESCl.N#CC(c1ccccc1F)N1CCOCC1
InChIInChI=1S/C12H13FN2O.ClH/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15;/h1-4,12H,5-8H2;1H
InChIKeyAKQUQSDQUSAVAE-UHFFFAOYSA-N
XLogP2.14
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
CID 84757087
2-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756598
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 121209842
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756586
2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile
CID 63667086
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110349546
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
2-(2,4-dimethylphenyl)-2-morpholin-4-ylacetonitrile
CID 43803033
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride (CID 45261443) is 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride is Cl.N#CC(c1ccccc1F)N1CCOCC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
The InChIKey is AKQUQSDQUSAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.ClH/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15;/h1-4,12H,5-8H2;1H.
What are the key properties of 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride?
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride has a molecular weight of 256.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride is sourced from PubChem (CID 45261443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).