2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C10H5BrF6O3 — CID 134655958

IUPAC2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H5BrF6O3/c11-5-2-3(7(18)8(19)20)1-4(9(12,13)14)6(5)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeySTZQNMLEWAIRGQ-UHFFFAOYSA-N
MW367.04 g/mol
LogP3.60
Rot. Bonds2

About 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134655958) has the molecular formula C10H5BrF6O3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134655958
Molecular FormulaC10H5BrF6O3
Molecular Weight367.04 g/mol
Exact Mass365.93
IUPAC Name2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H5BrF6O3/c11-5-2-3(7(18)8(19)20)1-4(9(12,13)14)6(5)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeySTZQNMLEWAIRGQ-UHFFFAOYSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-[3-iodo-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134638431
2-[4-ethyl-3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135742818
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 134638427
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 90900248
2-[3-bromo-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170997689
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
CID 117470016
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134655958) is 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is STZQNMLEWAIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF6O3/c11-5-2-3(7(18)8(19)20)1-4(9(12,13)14)6(5)10(15,16)17/h1-2,7,18H,(H,19,20).
What are the key properties of 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 367.04 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134655958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).