2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile

C14H17FN2O2 — CID 102978174

IUPAC2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile
SMILESCC1CN(Cc2ccc(F)c(C#N)c2)CC(CO)O1
InChIInChI=1S/C14H17FN2O2/c1-10-6-17(8-13(9-18)19-10)7-11-2-3-14(15)12(4-11)5-16/h2-4,10,13,18H,6-9H2,1H3
InChIKeyZJCIQRFFOAWLLF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.28
Rot. Bonds3

About 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile

2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile (PubChem CID 102978174) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile
PubChem CID102978174
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile
SMILESCC1CN(Cc2ccc(F)c(C#N)c2)CC(CO)O1
InChIInChI=1S/C14H17FN2O2/c1-10-6-17(8-13(9-18)19-10)7-11-2-3-14(15)12(4-11)5-16/h2-4,10,13,18H,6-9H2,1H3
InChIKeyZJCIQRFFOAWLLF-UHFFFAOYSA-N
XLogP1.28
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,6R)-4-[(3-cyano-4-fluorophenyl)methyl]-6-methylmorpholine-2-carboxylate
CID 97320861
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
(3S,4S)-1-[(3-cyano-4-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 128987189
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 103865064
2-fluoro-5-[[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methyl]benzonitrile
CID 107881727
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
2-fluoro-5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113256193

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile (CID 102978174) is 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile is CC1CN(Cc2ccc(F)c(C#N)c2)CC(CO)O1.
What is the InChIKey of 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile?
The InChIKey is ZJCIQRFFOAWLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10-6-17(8-13(9-18)19-10)7-11-2-3-14(15)12(4-11)5-16/h2-4,10,13,18H,6-9H2,1H3.
What are the key properties of 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile?
2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile has a molecular weight of 264.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 102978174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).