2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C10H5BrF6O3 — CID 118995986

IUPAC2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(C(F)(F)F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C10H5BrF6O3/c11-4-2-1-3(9(12,13)14)5(7(18)8(19)20)6(4)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeyZGNKDEWGGVHZPG-UHFFFAOYSA-N
MW367.04 g/mol
LogP3.60
Rot. Bonds2

About 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 118995986) has the molecular formula C10H5BrF6O3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID118995986
Molecular FormulaC10H5BrF6O3
Molecular Weight367.04 g/mol
Exact Mass365.93
IUPAC Name2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(C(F)(F)F)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C10H5BrF6O3/c11-4-2-1-3(9(12,13)14)5(7(18)8(19)20)6(4)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeyZGNKDEWGGVHZPG-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-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118997873
2-[6-bromo-3-nitro-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 171000450
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655958
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
3-bromo-2,6-bis(trifluoromethyl)phenol
CID 118997062
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 118995986) is 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1c(C(F)(F)F)ccc(Br)c1C(F)(F)F.
What is the InChIKey of 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is ZGNKDEWGGVHZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF6O3/c11-4-2-1-3(9(12,13)14)5(7(18)8(19)20)6(4)10(15,16)17/h1-2,7,18H,(H,19,20).
What are the key properties of 2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-bromo-2,6-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-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118995986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).