2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid

C9H6BrF3O2 — CID 84812531

IUPAC2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C9H6BrF3O2/c10-6-4-2-1-3-5(6)7(8(14)15)9(11,12)13/h1-4,7H,(H,14,15)
InChIKeyGMJCLHHDTKZFFB-UHFFFAOYSA-N
MW283.04 g/mol
LogP3.18
Rot. Bonds2

About 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid

2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid (PubChem CID 84812531) has the molecular formula C9H6BrF3O2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
PubChem CID84812531
Molecular FormulaC9H6BrF3O2
Molecular Weight283.04 g/mol
Exact Mass281.95
IUPAC Name2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C9H6BrF3O2/c10-6-4-2-1-3-5(6)7(8(14)15)9(11,12)13/h1-4,7H,(H,14,15)
InChIKeyGMJCLHHDTKZFFB-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84787274
2-[2-(carboxymethyl)phenyl]-3,3,3-trifluoropropanoic acid
CID 161438422
2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014
2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 5127524
(2S,3R)-2,3-dibromo-3-(2-bromophenyl)propanoic acid
CID 95858564
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
3,3,3-trifluoro-2-phenylpropanoyl bromide
CID 174737113
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid (CID 84812531) is 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid is O=C(O)C(c1ccccc1Br)C(F)(F)F.
What is the InChIKey of 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is GMJCLHHDTKZFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O2/c10-6-4-2-1-3-5(6)7(8(14)15)9(11,12)13/h1-4,7H,(H,14,15).
What are the key properties of 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid?
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 283.04 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 84812531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).