3,5-dibromo-2-(trifluoromethoxy)benzoic acid

C8H3Br2F3O3 — CID 154611943

IUPAC3,5-dibromo-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H3Br2F3O3/c9-3-1-4(7(14)15)6(5(10)2-3)16-8(11,12)13/h1-2H,(H,14,15)
InChIKeyCTSGNAZWTFMGDC-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.81
Rot. Bonds2

About 3,5-dibromo-2-(trifluoromethoxy)benzoic acid

3,5-dibromo-2-(trifluoromethoxy)benzoic acid (PubChem CID 154611943) has the molecular formula C8H3Br2F3O3 and a molecular weight of 363.91 g/mol. Its IUPAC name is 3,5-dibromo-2-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-(trifluoromethoxy)benzoic acid
PubChem CID154611943
Molecular FormulaC8H3Br2F3O3
Molecular Weight363.91 g/mol
Exact Mass361.84
IUPAC Name3,5-dibromo-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(Br)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C8H3Br2F3O3/c9-3-1-4(7(14)15)6(5(10)2-3)16-8(11,12)13/h1-2H,(H,14,15)
InChIKeyCTSGNAZWTFMGDC-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dibromosalicylic acid
CID 18464
3,5-Dibromo-2-methoxybenzoic acid
CID 643392
5-Bromo-2-methoxybenzoic acid
CID 881739
5-Bromo-2-acetylsalicylic acid
CID 73922
Methyl 5-bromosalicylate
CID 77683
Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
CID 624217
Methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951
Bis(3,5-dibromosalicyl)adipate
CID 4603928
1-(3,5-Dibromo-2-methoxyphenyl)ethanone
CID 24225992
5-Bromo-2-methoxy-3-methylbenzoic acid
CID 961919
5-Bromo-2-ethoxybenzoic acid
CID 5209920
3,5-Dibromo-2-methoxybenzaldehyde
CID 1494335

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(trifluoromethoxy)benzoic acid?
The IUPAC name of 3,5-dibromo-2-(trifluoromethoxy)benzoic acid (CID 154611943) is 3,5-dibromo-2-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 3,5-dibromo-2-(trifluoromethoxy)benzoic acid is O=C(O)c1cc(Br)cc(Br)c1OC(F)(F)F.
What is the InChIKey of 3,5-dibromo-2-(trifluoromethoxy)benzoic acid?
The InChIKey is CTSGNAZWTFMGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F3O3/c9-3-1-4(7(14)15)6(5(10)2-3)16-8(11,12)13/h1-2H,(H,14,15).
What are the key properties of 3,5-dibromo-2-(trifluoromethoxy)benzoic acid?
3,5-dibromo-2-(trifluoromethoxy)benzoic acid has a molecular weight of 363.91 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 154611943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).