2,4-difluoro-5-methoxybenzoic acid

C8H6F2O3 — CID 117280967

IUPAC2,4-difluoro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C8H6F2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyWVBRQDLGWAGFKA-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.67
Rot. Bonds2

About 2,4-difluoro-5-methoxybenzoic acid

2,4-difluoro-5-methoxybenzoic acid (PubChem CID 117280967) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2,4-difluoro-5-methoxybenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-methoxybenzoic acid
PubChem CID117280967
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name2,4-difluoro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C8H6F2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyWVBRQDLGWAGFKA-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
5-(bromomethyl)-2-fluoro-4-methoxybenzoic acid
CID 171025252
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
2,4-difluoro-5-[(methoxyamino)methyl]benzoic acid
CID 117308807
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
2-fluoro-5-iodo-4-methoxybenzoic acid;2-fluoro-4-methoxybenzoic acid
CID 160501658
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methoxybenzoic acid?
The IUPAC name of 2,4-difluoro-5-methoxybenzoic acid (CID 117280967) is 2,4-difluoro-5-methoxybenzoic acid.
What is the SMILES notation for 2,4-difluoro-5-methoxybenzoic acid?
The canonical SMILES for 2,4-difluoro-5-methoxybenzoic acid is COc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methoxybenzoic acid?
The InChIKey is WVBRQDLGWAGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12).
What are the key properties of 2,4-difluoro-5-methoxybenzoic acid?
2,4-difluoro-5-methoxybenzoic acid has a molecular weight of 188.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methoxybenzoic acid is sourced from PubChem (CID 117280967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).