2-(2,4-dibromophenoxy)-6-fluorobenzoic acid

C13H7Br2FO3 — CID 79511667

IUPAC2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br2FO3/c14-7-4-5-10(8(15)6-7)19-11-3-1-2-9(16)12(11)13(17)18/h1-6H,(H,17,18)
InChIKeyZSEUYFFQPGOPMO-UHFFFAOYSA-N
MW390.00 g/mol
LogP4.84
Rot. Bonds3

About 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid

2-(2,4-dibromophenoxy)-6-fluorobenzoic acid (PubChem CID 79511667) has the molecular formula C13H7Br2FO3 and a molecular weight of 390.00 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
PubChem CID79511667
Molecular FormulaC13H7Br2FO3
Molecular Weight390.00 g/mol
Exact Mass387.87
IUPAC Name2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H7Br2FO3/c14-7-4-5-10(8(15)6-7)19-11-3-1-2-9(16)12(11)13(17)18/h1-6H,(H,17,18)
InChIKeyZSEUYFFQPGOPMO-UHFFFAOYSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.00
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dibromo-2-pyridinyl)oxy]-6-fluorobenzoic acid
CID 107016399
2-(4-bromo-2,5-dichlorophenoxy)-6-fluorobenzoic acid
CID 107661509
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
CID 107016444
2-[2-(2,4-dibromophenoxy)phenyl]acetic acid
CID 15581881
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
6-(4-bromo-2-fluorophenoxy)-2-fluoro-3-methoxybenzoic acid
CID 67383477
1-[2-(4-bromo-2-nitrophenoxy)-6-fluorophenyl]ethanone
CID 65431859
2-bromo-6-(3,5-difluorophenoxy)benzoic acid
CID 114888676
(2,4-dibromophenyl) 2-fluorobenzoate
CID 23011822

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid?
The IUPAC name of 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid (CID 79511667) is 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid?
The InChIKey is ZSEUYFFQPGOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO3/c14-7-4-5-10(8(15)6-7)19-11-3-1-2-9(16)12(11)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid?
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid has a molecular weight of 390.00 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-6-fluorobenzoic acid is sourced from PubChem (CID 79511667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).