4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile

C13H15FN2O2 — CID 102876748

IUPAC4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
SMILESCOc1ccc(CN2CCOC(C#N)C2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-17-11-3-2-10(13(14)6-11)8-16-4-5-18-12(7-15)9-16/h2-3,6,12H,4-5,8-9H2,1H3
InChIKeyMJXZUNNKYCSCRC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.56
Rot. Bonds3

About 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile

4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile (PubChem CID 102876748) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
PubChem CID102876748
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
SMILESCOc1ccc(CN2CCOC(C#N)C2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-17-11-3-2-10(13(14)6-11)8-16-4-5-18-12(7-15)9-16/h2-3,6,12H,4-5,8-9H2,1H3
InChIKeyMJXZUNNKYCSCRC-UHFFFAOYSA-N
XLogP1.56
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
CID 74247681
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
4-[(3-bromo-2,6-difluorophenyl)methyl]morpholine-2-carbonitrile
CID 106264004
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
methyl 2-[4-[(4-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 79827334
4-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-2-carbonitrile
CID 79670510
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile (CID 102876748) is 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile is COc1ccc(CN2CCOC(C#N)C2)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile?
The InChIKey is MJXZUNNKYCSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-17-11-3-2-10(13(14)6-11)8-16-4-5-18-12(7-15)9-16/h2-3,6,12H,4-5,8-9H2,1H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile?
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile has a molecular weight of 250.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 102876748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).