5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid

C14H8BrF3O3 — CID 114896080

IUPAC5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H8BrF3O3/c15-8-5-6-11(9(7-8)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20)
InChIKeyOTTRRKOKKLIHLM-UHFFFAOYSA-N
MW361.11 g/mol
LogP4.96
Rot. Bonds3

About 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid

5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 114896080) has the molecular formula C14H8BrF3O3 and a molecular weight of 361.11 g/mol. Its IUPAC name is 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID114896080
Molecular FormulaC14H8BrF3O3
Molecular Weight361.11 g/mol
Exact Mass359.96
IUPAC Name5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H8BrF3O3/c15-8-5-6-11(9(7-8)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20)
InChIKeyOTTRRKOKKLIHLM-UHFFFAOYSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.11
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 23354673
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521
2-[2-[(4-bromophenyl)carbamoylamino]-4-(trifluoromethyl)phenoxy]benzoic acid
CID 15291672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid (CID 114896080) is 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1cc(Br)ccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is OTTRRKOKKLIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O3/c15-8-5-6-11(9(7-8)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 361.11 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 114896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).