2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid

C14H16FNO5 — CID 107014045

IUPAC2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
SMILESCC1CN(C(=O)COc2cccc(F)c2C(=O)O)CCO1
InChIInChI=1S/C14H16FNO5/c1-9-7-16(5-6-20-9)12(17)8-21-11-4-2-3-10(15)13(11)14(18)19/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyGCMJEXCLRXIRCZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.15
Rot. Bonds4

About 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid

2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid (PubChem CID 107014045) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
PubChem CID107014045
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
SMILESCC1CN(C(=O)COc2cccc(F)c2C(=O)O)CCO1
InChIInChI=1S/C14H16FNO5/c1-9-7-16(5-6-20-9)12(17)8-21-11-4-2-3-10(15)13(11)14(18)19/h2-4,9H,5-8H2,1H3,(H,18,19)
InChIKeyGCMJEXCLRXIRCZ-UHFFFAOYSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-[2-(azetidin-1-yl)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014105
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-fluorobenzoic acid
CID 22264040

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid (CID 107014045) is 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid is CC1CN(C(=O)COc2cccc(F)c2C(=O)O)CCO1.
What is the InChIKey of 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The InChIKey is GCMJEXCLRXIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-9-7-16(5-6-20-9)12(17)8-21-11-4-2-3-10(15)13(11)14(18)19/h2-4,9H,5-8H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid has a molecular weight of 297.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 107014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).