2-(2,6-difluoro-3-methoxyphenyl)acetic acid

C9H8F2O3 — CID 3816042

IUPAC2-(2,6-difluoro-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O3/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKIUMRKHFRAIFFF-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.60
Rot. Bonds3

About 2-(2,6-difluoro-3-methoxyphenyl)acetic acid

2-(2,6-difluoro-3-methoxyphenyl)acetic acid (PubChem CID 3816042) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methoxyphenyl)acetic acid
PubChem CID3816042
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(2,6-difluoro-3-methoxyphenyl)acetic acid
SMILESCOc1ccc(F)c(CC(=O)O)c1F
InChIInChI=1S/C9H8F2O3/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyKIUMRKHFRAIFFF-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,6-difluoro-3-methoxyphenyl)acetic acid (CID 3816042) is 2-(2,6-difluoro-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,6-difluoro-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,6-difluoro-3-methoxyphenyl)acetic acid is COc1ccc(F)c(CC(=O)O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methoxyphenyl)acetic acid?
The InChIKey is KIUMRKHFRAIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-14-7-3-2-6(10)5(9(7)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2,6-difluoro-3-methoxyphenyl)acetic acid?
2-(2,6-difluoro-3-methoxyphenyl)acetic acid has a molecular weight of 202.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 3816042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).