(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H6BrF3O3 — CID 131586702

IUPAC(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H6BrF3O3/c10-6-2-1-4(9(11,12)13)3-5(6)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyPADXAIUBOAXZPD-SSDOTTSWSA-N
MW299.04 g/mol
LogP2.59
Rot. Bonds2

About (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 131586702) has the molecular formula C9H6BrF3O3 and a molecular weight of 299.04 g/mol. Its IUPAC name is (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID131586702
Molecular FormulaC9H6BrF3O3
Molecular Weight299.04 g/mol
Exact Mass297.95
IUPAC Name(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H6BrF3O3/c10-6-2-1-4(9(11,12)13)3-5(6)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyPADXAIUBOAXZPD-SSDOTTSWSA-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

(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053
methyl 3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865308
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 131586702) is (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)[C@H](O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is PADXAIUBOAXZPD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6BrF3O3/c10-6-2-1-4(9(11,12)13)3-5(6)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
(2R)-2-[2-bromo-5-(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 (2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 131586702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).