ethyl 2-fluoro-4,5-dimethoxybenzoate

C11H13FO4 — CID 163198249

IUPACethyl 2-fluoro-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C11H13FO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4H2,1-3H3
InChIKeyDNRQHJWYSJJNST-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-fluoro-4,5-dimethoxybenzoate

ethyl 2-fluoro-4,5-dimethoxybenzoate (PubChem CID 163198249) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 2-fluoro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4,5-dimethoxybenzoate
PubChem CID163198249
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Nameethyl 2-fluoro-4,5-dimethoxybenzoate
SMILESCCOC(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C11H13FO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4H2,1-3H3
InChIKeyDNRQHJWYSJJNST-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(bromomethyl)-2-fluoro-5-methoxybenzoate
CID 130132937
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)-2-oxoacetate
CID 117352671
ethyl 2-fluoro-5-iodo-3-methoxybenzoate
CID 164891233
ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
CID 141201124
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
3-hydroxypropyl 2,5-difluoro-4-methoxybenzoate
CID 116863079

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4,5-dimethoxybenzoate?
The IUPAC name of ethyl 2-fluoro-4,5-dimethoxybenzoate (CID 163198249) is ethyl 2-fluoro-4,5-dimethoxybenzoate.
What is the SMILES notation for ethyl 2-fluoro-4,5-dimethoxybenzoate?
The canonical SMILES for ethyl 2-fluoro-4,5-dimethoxybenzoate is CCOC(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of ethyl 2-fluoro-4,5-dimethoxybenzoate?
The InChIKey is DNRQHJWYSJJNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-4,5-dimethoxybenzoate?
ethyl 2-fluoro-4,5-dimethoxybenzoate has a molecular weight of 228.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4,5-dimethoxybenzoate is sourced from PubChem (CID 163198249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).