2,5-dibromo-4-(difluoromethoxy)benzoic acid

C8H4Br2F2O3 — CID 119002242

IUPAC2,5-dibromo-4-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)c(OC(F)F)cc1Br
InChIInChI=1S/C8H4Br2F2O3/c9-4-2-6(15-8(11)12)5(10)1-3(4)7(13)14/h1-2,8H,(H,13,14)
InChIKeyZVGNSRXRMNHQFQ-UHFFFAOYSA-N
MW345.92 g/mol
LogP3.51
Rot. Bonds3

About 2,5-dibromo-4-(difluoromethoxy)benzoic acid

2,5-dibromo-4-(difluoromethoxy)benzoic acid (PubChem CID 119002242) has the molecular formula C8H4Br2F2O3 and a molecular weight of 345.92 g/mol. Its IUPAC name is 2,5-dibromo-4-(difluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2,5-dibromo-4-(difluoromethoxy)benzoic acid
PubChem CID119002242
Molecular FormulaC8H4Br2F2O3
Molecular Weight345.92 g/mol
Exact Mass343.85
IUPAC Name2,5-dibromo-4-(difluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)c(OC(F)F)cc1Br
InChIInChI=1S/C8H4Br2F2O3/c9-4-2-6(15-8(11)12)5(10)1-3(4)7(13)14/h1-2,8H,(H,13,14)
InChIKeyZVGNSRXRMNHQFQ-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-2-(difluoromethoxy)benzamide
CID 118851773
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
4,5-diamino-2-(difluoromethoxy)benzoic acid
CID 67232291
4-bromo-3-(difluoromethoxy)benzoic acid;ethane
CID 144822907
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
3-bromo-4-chloro-5-(difluoromethoxy)benzoic acid
CID 171001530
2,4-dichloro-5-(difluoromethoxy)benzoic acid
CID 119020292
2,5-dichloro-3-(difluoromethoxy)benzoic acid
CID 119002973

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-(difluoromethoxy)benzoic acid?
The IUPAC name of 2,5-dibromo-4-(difluoromethoxy)benzoic acid (CID 119002242) is 2,5-dibromo-4-(difluoromethoxy)benzoic acid.
What is the SMILES notation for 2,5-dibromo-4-(difluoromethoxy)benzoic acid?
The canonical SMILES for 2,5-dibromo-4-(difluoromethoxy)benzoic acid is O=C(O)c1cc(Br)c(OC(F)F)cc1Br.
What is the InChIKey of 2,5-dibromo-4-(difluoromethoxy)benzoic acid?
The InChIKey is ZVGNSRXRMNHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O3/c9-4-2-6(15-8(11)12)5(10)1-3(4)7(13)14/h1-2,8H,(H,13,14).
What are the key properties of 2,5-dibromo-4-(difluoromethoxy)benzoic acid?
2,5-dibromo-4-(difluoromethoxy)benzoic acid has a molecular weight of 345.92 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(difluoromethoxy)benzoic acid is sourced from PubChem (CID 119002242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).