ethyl 2-fluoro-4,6-dimethoxybenzoate

C11H13FO4 — CID 134644513

IUPACethyl 2-fluoro-4,6-dimethoxybenzoate
SMILESCCOC(=O)c1c(F)cc(OC)cc1OC
InChIInChI=1S/C11H13FO4/c1-4-16-11(13)10-8(12)5-7(14-2)6-9(10)15-3/h5-6H,4H2,1-3H3
InChIKeyVRCGFHAHHNYGCH-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-fluoro-4,6-dimethoxybenzoate

ethyl 2-fluoro-4,6-dimethoxybenzoate (PubChem CID 134644513) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 2-fluoro-4,6-dimethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4,6-dimethoxybenzoate
PubChem CID134644513
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Nameethyl 2-fluoro-4,6-dimethoxybenzoate
SMILESCCOC(=O)c1c(F)cc(OC)cc1OC
InChIInChI=1S/C11H13FO4/c1-4-16-11(13)10-8(12)5-7(14-2)6-9(10)15-3/h5-6H,4H2,1-3H3
InChIKeyVRCGFHAHHNYGCH-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

diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
ethyl 5-(2-fluoro-4,6-dimethoxyphenyl)-2H-triazole-4-carboxylate
CID 169401502
ethyl 2-(4-ethoxy-3-methyl-2,4-dioxobutyl)-4,6-dimethoxybenzoate
CID 11739633
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 2-(chloromethyl)-4-fluoro-6-methoxybenzoate
CID 171019605
1,3,5-triazin-2-yl 2-fluoro-4,6-dimethoxybenzoate
CID 175448171
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
ethyl 2-(chloromethyl)-3-fluoro-5-methoxybenzoate
CID 171019313
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
ethyl 6-fluoro-2-(3-fluoro-5-methoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71455209
ethyl 3-iodo-4,6-dimethoxy-2-methylbenzoate
CID 10871806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4,6-dimethoxybenzoate?
The IUPAC name of ethyl 2-fluoro-4,6-dimethoxybenzoate (CID 134644513) is ethyl 2-fluoro-4,6-dimethoxybenzoate.
What is the SMILES notation for ethyl 2-fluoro-4,6-dimethoxybenzoate?
The canonical SMILES for ethyl 2-fluoro-4,6-dimethoxybenzoate is CCOC(=O)c1c(F)cc(OC)cc1OC.
What is the InChIKey of ethyl 2-fluoro-4,6-dimethoxybenzoate?
The InChIKey is VRCGFHAHHNYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-4-16-11(13)10-8(12)5-7(14-2)6-9(10)15-3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-4,6-dimethoxybenzoate?
ethyl 2-fluoro-4,6-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-4,6-dimethoxybenzoate is sourced from PubChem (CID 134644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).