2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile

C13H15FN2O2 — CID 107118745

IUPAC2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCC2CNCCO2)c1F
InChIInChI=1S/C13H15FN2O2/c14-13-10(6-15)2-1-3-11(13)8-17-9-12-7-16-4-5-18-12/h1-3,12,16H,4-5,7-9H2
InChIKeyJDBKZZXGYHNAKV-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.20
Rot. Bonds4

About 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile

2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile (PubChem CID 107118745) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
PubChem CID107118745
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
SMILESN#Cc1cccc(COCC2CNCCO2)c1F
InChIInChI=1S/C13H15FN2O2/c14-13-10(6-15)2-1-3-11(13)8-17-9-12-7-16-4-5-18-12/h1-3,12,16H,4-5,7-9H2
InChIKeyJDBKZZXGYHNAKV-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

4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
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2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
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2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
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2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
CID 114468540
3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
CID 151134961
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
CID 114468363

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile (CID 107118745) is 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile is N#Cc1cccc(COCC2CNCCO2)c1F.
What is the InChIKey of 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile?
The InChIKey is JDBKZZXGYHNAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-13-10(6-15)2-1-3-11(13)8-17-9-12-7-16-4-5-18-12/h1-3,12,16H,4-5,7-9H2.
What are the key properties of 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile?
2-fluoro-3-(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 2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile is sourced from PubChem (CID 107118745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).