2-bromo-4-(2,5-difluorophenoxy)benzoic acid

C13H7BrF2O3 — CID 107282547

IUPAC2-bromo-4-(2,5-difluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C13H7BrF2O3/c14-10-6-8(2-3-9(10)13(17)18)19-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,18)
InChIKeyBNTIEPRBMUNWHG-UHFFFAOYSA-N
MW329.10 g/mol
LogP4.22
Rot. Bonds3

About 2-bromo-4-(2,5-difluorophenoxy)benzoic acid

2-bromo-4-(2,5-difluorophenoxy)benzoic acid (PubChem CID 107282547) has the molecular formula C13H7BrF2O3 and a molecular weight of 329.10 g/mol. Its IUPAC name is 2-bromo-4-(2,5-difluorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(2,5-difluorophenoxy)benzoic acid
PubChem CID107282547
Molecular FormulaC13H7BrF2O3
Molecular Weight329.10 g/mol
Exact Mass327.95
IUPAC Name2-bromo-4-(2,5-difluorophenoxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2cc(F)ccc2F)cc1Br
InChIInChI=1S/C13H7BrF2O3/c14-10-6-8(2-3-9(10)13(17)18)19-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,18)
InChIKeyBNTIEPRBMUNWHG-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-fluoro-5-methylphenoxy)benzoic acid
CID 107282560
2-bromo-4-(4-bromo-3-fluorophenoxy)benzoic acid
CID 107282562
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
2-bromo-4,5-difluorobenzoic acid;2-bromo-4-fluorobenzoic acid
CID 175275604
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2-bromo-4-(2-tert-butylphenoxy)benzoic acid
CID 107282419
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
2-bromo-4-naphthalen-2-yloxybenzoic acid
CID 107282443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,5-difluorophenoxy)benzoic acid?
The IUPAC name of 2-bromo-4-(2,5-difluorophenoxy)benzoic acid (CID 107282547) is 2-bromo-4-(2,5-difluorophenoxy)benzoic acid.
What is the SMILES notation for 2-bromo-4-(2,5-difluorophenoxy)benzoic acid?
The canonical SMILES for 2-bromo-4-(2,5-difluorophenoxy)benzoic acid is O=C(O)c1ccc(Oc2cc(F)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-(2,5-difluorophenoxy)benzoic acid?
The InChIKey is BNTIEPRBMUNWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O3/c14-10-6-8(2-3-9(10)13(17)18)19-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,18).
What are the key properties of 2-bromo-4-(2,5-difluorophenoxy)benzoic acid?
2-bromo-4-(2,5-difluorophenoxy)benzoic acid has a molecular weight of 329.10 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,5-difluorophenoxy)benzoic acid is sourced from PubChem (CID 107282547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).