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

C8H4F4O3 — CID 46311566

IUPAC4-(difluoromethoxy)-2,3-difluorobenzoic acid
SMILESO=C(O)c1ccc(OC(F)F)c(F)c1F
InChIInChI=1S/C8H4F4O3/c9-5-3(7(13)14)1-2-4(6(5)10)15-8(11)12/h1-2,8H,(H,13,14)
InChIKeyMEOOCEMVFNJGDP-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.26
Rot. Bonds3

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

4-(difluoromethoxy)-2,3-difluorobenzoic acid (PubChem CID 46311566) has the molecular formula C8H4F4O3 and a molecular weight of 224.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,3-difluorobenzoic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,3-difluorobenzoic acid
PubChem CID46311566
Molecular FormulaC8H4F4O3
Molecular Weight224.11 g/mol
Exact Mass224.01
IUPAC Name4-(difluoromethoxy)-2,3-difluorobenzoic acid
SMILESO=C(O)c1ccc(OC(F)F)c(F)c1F
InChIInChI=1S/C8H4F4O3/c9-5-3(7(13)14)1-2-4(6(5)10)15-8(11)12/h1-2,8H,(H,13,14)
InChIKeyMEOOCEMVFNJGDP-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

4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065
4-(2-bromoacetyl)oxy-2,3-difluorobenzoic acid
CID 154609531
3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834
2-cyano-4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 119024073
1-[4-(difluoromethoxy)-2-ethyl-3-fluorophenyl]ethanone
CID 171031684
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
3-(difluoromethoxy)-2-fluoro-6-nitrobenzoic acid
CID 171031947
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
3-(difluoromethoxy)-4-fluoro-2-formylbenzoic acid
CID 171025953
3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
CID 121228467
6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
CID 121228473

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,3-difluorobenzoic acid?
The IUPAC name of 4-(difluoromethoxy)-2,3-difluorobenzoic acid (CID 46311566) is 4-(difluoromethoxy)-2,3-difluorobenzoic acid.
What is the SMILES notation for 4-(difluoromethoxy)-2,3-difluorobenzoic acid?
The canonical SMILES for 4-(difluoromethoxy)-2,3-difluorobenzoic acid is O=C(O)c1ccc(OC(F)F)c(F)c1F.
What is the InChIKey of 4-(difluoromethoxy)-2,3-difluorobenzoic acid?
The InChIKey is MEOOCEMVFNJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O3/c9-5-3(7(13)14)1-2-4(6(5)10)15-8(11)12/h1-2,8H,(H,13,14).
What are the key properties of 4-(difluoromethoxy)-2,3-difluorobenzoic acid?
4-(difluoromethoxy)-2,3-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 4-(difluoromethoxy)-2,3-difluorobenzoic acid is sourced from PubChem (CID 46311566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).