2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride

C18H18ClFN2O2 — CID 68597668

IUPAC2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1
InChIInChI=1S/C18H17FN2O2.ClH/c19-15-6-3-5-13(10-15)18(17-12-21-8-9-22-17)23-16-7-2-1-4-14(16)11-20;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m0./s1
InChIKeyQVCBYILCPLCOJW-OQICONIUSA-N
MW348.81 g/mol
LogP3.23
Rot. Bonds4

About 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride

2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride (PubChem CID 68597668) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
PubChem CID68597668
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1
InChIInChI=1S/C18H17FN2O2.ClH/c19-15-6-3-5-13(10-15)18(17-12-21-8-9-22-17)23-16-7-2-1-4-14(16)11-20;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m0./s1
InChIKeyQVCBYILCPLCOJW-OQICONIUSA-N
XLogP3.23
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-morpholin-2-yl]-phenylmethoxy]benzonitrile
CID 68538390
2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
CID 11558425
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
CID 68599466
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride?
The IUPAC name of 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride (CID 68597668) is 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride?
The canonical SMILES for 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride is Cl.N#Cc1ccccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1.
What is the InChIKey of 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride?
The InChIKey is QVCBYILCPLCOJW-OQICONIUSA-N. The full InChI is InChI=1S/C18H17FN2O2.ClH/c19-15-6-3-5-13(10-15)18(17-12-21-8-9-22-17)23-16-7-2-1-4-14(16)11-20;/h1-7,10,17-18,21H,8-9,12H2;1H/t17-,18?;/m0./s1.
What are the key properties of 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride?
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride has a molecular weight of 348.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride is sourced from PubChem (CID 68597668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).