3-(difluoromethoxy)-2,4-difluorobenzoic acid

C8H4F4O3 — CID 24721065

IUPAC3-(difluoromethoxy)-2,4-difluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(OC(F)F)c1F
InChIInChI=1S/C8H4F4O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14)
InChIKeyLRDKEFQBXPTRQA-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.26
Rot. Bonds3

About 3-(difluoromethoxy)-2,4-difluorobenzoic acid

3-(difluoromethoxy)-2,4-difluorobenzoic acid (PubChem CID 24721065) has the molecular formula C8H4F4O3 and a molecular weight of 224.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-2,4-difluorobenzoic acid
PubChem CID24721065
Molecular FormulaC8H4F4O3
Molecular Weight224.11 g/mol
Exact Mass224.01
IUPAC Name3-(difluoromethoxy)-2,4-difluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(OC(F)F)c1F
InChIInChI=1S/C8H4F4O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14)
InChIKeyLRDKEFQBXPTRQA-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834
3-(difluoromethoxy)-4-fluoro-2-formylbenzoic acid
CID 171025953
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
3-(difluoromethoxy)-4-fluoro-2-nitrobenzoic acid
CID 171031948
ethyl 3-(difluoromethoxy)-2,4-difluorobenzoate
CID 134644517
2-(difluoromethoxy)-4-fluoro-3-nitrobenzoic acid
CID 171031938
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
6-acetyl-2-(difluoromethoxy)-3-fluorobenzonitrile
CID 131396248
2-(difluoromethoxy)-4-formyl-3-methylbenzoic acid
CID 171026428
6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
CID 121228473
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2,4-difluorobenzoic acid?
The IUPAC name of 3-(difluoromethoxy)-2,4-difluorobenzoic acid (CID 24721065) is 3-(difluoromethoxy)-2,4-difluorobenzoic acid.
What is the SMILES notation for 3-(difluoromethoxy)-2,4-difluorobenzoic acid?
The canonical SMILES for 3-(difluoromethoxy)-2,4-difluorobenzoic acid is O=C(O)c1ccc(F)c(OC(F)F)c1F.
What is the InChIKey of 3-(difluoromethoxy)-2,4-difluorobenzoic acid?
The InChIKey is LRDKEFQBXPTRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14).
What are the key properties of 3-(difluoromethoxy)-2,4-difluorobenzoic acid?
3-(difluoromethoxy)-2,4-difluorobenzoic acid has a molecular weight of 224.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2,4-difluorobenzoic acid is sourced from PubChem (CID 24721065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).