4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile

C13H15FN2O2 — CID 107906460

IUPAC4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1ccc(F)cc1COCC1CNCCO1
InChIInChI=1S/C13H15FN2O2/c14-12-2-1-10(6-15)11(5-12)8-17-9-13-7-16-3-4-18-13/h1-2,5,13,16H,3-4,7-9H2
InChIKeyQMSIWJNUCFBFPE-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.20
Rot. Bonds4

About 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile

4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile (PubChem CID 107906460) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
PubChem CID107906460
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1ccc(F)cc1COCC1CNCCO1
InChIInChI=1S/C13H15FN2O2/c14-12-2-1-10(6-15)11(5-12)8-17-9-13-7-16-3-4-18-13/h1-2,5,13,16H,3-4,7-9H2
InChIKeyQMSIWJNUCFBFPE-UHFFFAOYSA-N
XLogP1.20
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
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5-fluoro-2-(morpholin-2-ylmethylamino)benzonitrile
CID 115324146
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
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2-(morpholin-2-ylmethoxy)benzonitrile
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2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
4-(morpholin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 114469202
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450
4-fluoro-2-(2,2,3,3,3-pentafluoropropoxymethyl)benzonitrile
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2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile?
The IUPAC name of 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile (CID 107906460) is 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile.
What is the SMILES notation for 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile?
The canonical SMILES for 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile is N#Cc1ccc(F)cc1COCC1CNCCO1.
What is the InChIKey of 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile?
The InChIKey is QMSIWJNUCFBFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-12-2-1-10(6-15)11(5-12)8-17-9-13-7-16-3-4-18-13/h1-2,5,13,16H,3-4,7-9H2.
What are the key properties of 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile?
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile is sourced from PubChem (CID 107906460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).