methyl 2-fluoro-4,5-dimethoxybenzoate

C10H11FO4 — CID 86155175

IUPACmethyl 2-fluoro-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C10H11FO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3
InChIKeyGWSAQROFRIDQID-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-fluoro-4,5-dimethoxybenzoate

methyl 2-fluoro-4,5-dimethoxybenzoate (PubChem CID 86155175) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 2-fluoro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4,5-dimethoxybenzoate
PubChem CID86155175
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-fluoro-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C10H11FO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3
InChIKeyGWSAQROFRIDQID-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
2-bromo-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 62866207
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
3-chloro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 104645825
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
CID 67979097
methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
CID 141498075

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-fluoro-4,5-dimethoxybenzoate (CID 86155175) is methyl 2-fluoro-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-fluoro-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-fluoro-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of methyl 2-fluoro-4,5-dimethoxybenzoate?
The InChIKey is GWSAQROFRIDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3.
What are the key properties of methyl 2-fluoro-4,5-dimethoxybenzoate?
methyl 2-fluoro-4,5-dimethoxybenzoate has a molecular weight of 214.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4,5-dimethoxybenzoate is sourced from PubChem (CID 86155175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).