2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H6BrF3O3 — CID 131307202

IUPAC2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(Br)c1C(F)(F)F
InChIInChI=1S/C9H6BrF3O3/c10-5-3-1-2-4(7(14)8(15)16)6(5)9(11,12)13/h1-3,7,14H,(H,15,16)
InChIKeyQOYSCYZELPRSGE-UHFFFAOYSA-N
MW299.04 g/mol
LogP2.59
Rot. Bonds2

About 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 131307202) has the molecular formula C9H6BrF3O3 and a molecular weight of 299.04 g/mol. Its IUPAC name is 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID131307202
Molecular FormulaC9H6BrF3O3
Molecular Weight299.04 g/mol
Exact Mass297.95
IUPAC Name2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(Br)c1C(F)(F)F
InChIInChI=1S/C9H6BrF3O3/c10-5-3-1-2-4(7(14)8(15)16)6(5)9(11,12)13/h1-3,7,14H,(H,15,16)
InChIKeyQOYSCYZELPRSGE-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.04
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-2-(trifluoromethyl)phenyl]-1-chloropropan-2-one
CID 118854849
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117332015
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
2-hydroxy-2-[2-nitro-3-(trifluoromethyl)phenyl]acetic acid
CID 131870521

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 131307202) is 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cccc(Br)c1C(F)(F)F.
What is the InChIKey of 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is QOYSCYZELPRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O3/c10-5-3-1-2-4(7(14)8(15)16)6(5)9(11,12)13/h1-3,7,14H,(H,15,16).
What are the key properties of 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 299.04 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 131307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).