2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid

C11H10F2O4 — CID 10444484

IUPAC2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
SMILESCCOC(=O)c1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C11H10F2O4/c1-2-17-11(16)7-5-8(12)6(3-9(7)13)4-10(14)15/h3,5H,2,4H2,1H3,(H,14,15)
InChIKeyXNLAYEQZABLVDK-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid

2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid (PubChem CID 10444484) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
PubChem CID10444484
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
SMILESCCOC(=O)c1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C11H10F2O4/c1-2-17-11(16)7-5-8(12)6(3-9(7)13)4-10(14)15/h3,5H,2,4H2,1H3,(H,14,15)
InChIKeyXNLAYEQZABLVDK-UHFFFAOYSA-N
XLogP1.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
ethyl 4-(bromomethyl)-2-fluoro-5-methoxybenzoate
CID 130132937
ethyl 4,5-difluoro-2-hydroxybenzoate
CID 18452909
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
ethyl 5-bromo-2-fluorobenzoate
CID 21113016

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid?
The IUPAC name of 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid (CID 10444484) is 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid?
The canonical SMILES for 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid is CCOC(=O)c1cc(F)c(CC(=O)O)cc1F.
What is the InChIKey of 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid?
The InChIKey is XNLAYEQZABLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-2-17-11(16)7-5-8(12)6(3-9(7)13)4-10(14)15/h3,5H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid?
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid has a molecular weight of 244.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid is sourced from PubChem (CID 10444484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).