2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid

C9H6BrF3O3 — CID 154733834

IUPAC2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6BrF3O3/c10-6-1-5(9(11,12)13)2-7(3-6)16-4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyIGRBYVYAHIEBEI-UHFFFAOYSA-N
MW299.04 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid

2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 154733834) has the molecular formula C9H6BrF3O3 and a molecular weight of 299.04 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
PubChem CID154733834
Molecular FormulaC9H6BrF3O3
Molecular Weight299.04 g/mol
Exact Mass297.95
IUPAC Name2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6BrF3O3/c10-6-1-5(9(11,12)13)2-7(3-6)16-4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKeyIGRBYVYAHIEBEI-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.04
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
CID 78760649
methyl N-[3-bromo-5-(trifluoromethyl)phenoxy]carbamate
CID 174346926
2-[3-bromo-5-(trifluoromethyl)phenoxy]-2-methylpropanamide
CID 165412307
2-[3-(acetamidomethyl)-5-bromophenoxy]acetic acid
CID 167734862
2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
CID 21049544
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
CID 71669577
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
CID 167715732

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid (CID 154733834) is 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is IGRBYVYAHIEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O3/c10-6-1-5(9(11,12)13)2-7(3-6)16-4-8(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid?
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 299.04 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 154733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).