4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile

C14H17FN2O2 — CID 102633564

IUPAC4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
SMILESCC1CNCC(COCc2cc(C#N)ccc2F)O1
InChIInChI=1S/C14H17FN2O2/c1-10-6-17-7-13(19-10)9-18-8-12-4-11(5-16)2-3-14(12)15/h2-4,10,13,17H,6-9H2,1H3
InChIKeyXFSNYFNFJFCRIA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.59
Rot. Bonds4

About 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile

4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile (PubChem CID 102633564) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
PubChem CID102633564
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
SMILESCC1CNCC(COCc2cc(C#N)ccc2F)O1
InChIInChI=1S/C14H17FN2O2/c1-10-6-17-7-13(19-10)9-18-8-12-4-11(5-16)2-3-14(12)15/h2-4,10,13,17H,6-9H2,1H3
InChIKeyXFSNYFNFJFCRIA-UHFFFAOYSA-N
XLogP1.59
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633650
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875
2-methyl-6-[(5-methylfuran-2-yl)methoxymethyl]morpholine
CID 102633733
2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633734
2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147
2-methyl-6-(1,3-thiazol-2-ylmethoxymethyl)morpholine
CID 102633648
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
4-fluoro-3-(octoxymethyl)benzonitrile
CID 43128149
4-fluoro-3-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402454
2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
CID 102633844

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile (CID 102633564) is 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile is CC1CNCC(COCc2cc(C#N)ccc2F)O1.
What is the InChIKey of 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile?
The InChIKey is XFSNYFNFJFCRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10-6-17-7-13(19-10)9-18-8-12-4-11(5-16)2-3-14(12)15/h2-4,10,13,17H,6-9H2,1H3.
What are the key properties of 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile?
4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile has a molecular weight of 264.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile is sourced from PubChem (CID 102633564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).