methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate

C10H10F2O5S — CID 165460206

IUPACmethyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate
SMILESCCOc1c(F)cc(S(=O)(=O)F)cc1C(=O)OC
InChIInChI=1S/C10H10F2O5S/c1-3-17-9-7(10(13)16-2)4-6(5-8(9)11)18(12,14)15/h4-5H,3H2,1-2H3
InChIKeyIXACRKCQQOSNDJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate

methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate (PubChem CID 165460206) has the molecular formula C10H10F2O5S and a molecular weight of 280.25 g/mol. Its IUPAC name is methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate
PubChem CID165460206
Molecular FormulaC10H10F2O5S
Molecular Weight280.25 g/mol
Exact Mass280.02
IUPAC Namemethyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate
SMILESCCOc1c(F)cc(S(=O)(=O)F)cc1C(=O)OC
InChIInChI=1S/C10H10F2O5S/c1-3-17-9-7(10(13)16-2)4-6(5-8(9)11)18(12,14)15/h4-5H,3H2,1-2H3
InChIKeyIXACRKCQQOSNDJ-UHFFFAOYSA-N
XLogP1.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 5-chloro-4-fluoro-2-fluorosulfonylbenzoate
CID 138987747
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
methyl 7-chloro-4-ethoxy-2H-benzotriazole-5-carboxylate
CID 10587144
methyl 1,2,6,7-tetraethoxyphenanthrene-9-carboxylate
CID 162515113
4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117428637

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate?
The IUPAC name of methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate (CID 165460206) is methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate.
What is the SMILES notation for methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate?
The canonical SMILES for methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate is CCOc1c(F)cc(S(=O)(=O)F)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate?
The InChIKey is IXACRKCQQOSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O5S/c1-3-17-9-7(10(13)16-2)4-6(5-8(9)11)18(12,14)15/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate?
methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate has a molecular weight of 280.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate is sourced from PubChem (CID 165460206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).