2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid

C10H10F2O4 — CID 117335777

IUPAC2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
SMILESCOc1cc(F)c(F)c(CC(=O)O)c1OC
InChIInChI=1S/C10H10F2O4/c1-15-7-4-6(11)9(12)5(3-8(13)14)10(7)16-2/h4H,3H2,1-2H3,(H,13,14)
InChIKeyCVZSHVOMDYNSGI-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.61
Rot. Bonds4

About 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid

2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid (PubChem CID 117335777) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
PubChem CID117335777
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Name2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
SMILESCOc1cc(F)c(F)c(CC(=O)O)c1OC
InChIInChI=1S/C10H10F2O4/c1-15-7-4-6(11)9(12)5(3-8(13)14)10(7)16-2/h4H,3H2,1-2H3,(H,13,14)
InChIKeyCVZSHVOMDYNSGI-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
2-[6-bromo-2-(chloromethyl)-3,4-dimethoxyphenyl]acetic acid
CID 154229520
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
3-amino-3-(2,4-difluoro-3,5-dimethoxyphenyl)propanoic acid
CID 117406580
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid (CID 117335777) is 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid is COc1cc(F)c(F)c(CC(=O)O)c1OC.
What is the InChIKey of 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid?
The InChIKey is CVZSHVOMDYNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-15-7-4-6(11)9(12)5(3-8(13)14)10(7)16-2/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid?
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid has a molecular weight of 232.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117335777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).