2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile

C13H14F2N2O2 — CID 107934248

IUPAC2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
SMILESCC1CN(c2ccc(C#N)c(F)c2F)CC(CO)O1
InChIInChI=1S/C13H14F2N2O2/c1-8-5-17(6-10(7-18)19-8)11-3-2-9(4-16)12(14)13(11)15/h2-3,8,10,18H,5-7H2,1H3
InChIKeyQVZUMVCUJLVUAA-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.42
Rot. Bonds2

About 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile

2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile (PubChem CID 107934248) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
PubChem CID107934248
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
SMILESCC1CN(c2ccc(C#N)c(F)c2F)CC(CO)O1
InChIInChI=1S/C13H14F2N2O2/c1-8-5-17(6-10(7-18)19-8)11-3-2-9(4-16)12(14)13(11)15/h2-3,8,10,18H,5-7H2,1H3
InChIKeyQVZUMVCUJLVUAA-UHFFFAOYSA-N
XLogP1.42
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 107934019
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795
4-(3,4-dimethylpyrrolidin-1-yl)-2,3-difluorobenzonitrile
CID 107933955
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102932757
2,3-difluoro-4-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 107933393
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile
CID 102978174
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102935226
[4-(2-iodo-4-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935104
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile (CID 107934248) is 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile is CC1CN(c2ccc(C#N)c(F)c2F)CC(CO)O1.
What is the InChIKey of 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile?
The InChIKey is QVZUMVCUJLVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-5-17(6-10(7-18)19-8)11-3-2-9(4-16)12(14)13(11)15/h2-3,8,10,18H,5-7H2,1H3.
What are the key properties of 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile?
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile has a molecular weight of 268.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile is sourced from PubChem (CID 107934248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).