6-bromo-2-methyl-3-(trifluoromethyl)phenol

C8H6BrF3O — CID 131341136

IUPAC6-bromo-2-methyl-3-(trifluoromethyl)phenol
SMILESCc1c(C(F)(F)F)ccc(Br)c1O
InChIInChI=1S/C8H6BrF3O/c1-4-5(8(10,11)12)2-3-6(9)7(4)13/h2-3,13H,1H3
InChIKeyQPXGNOHDHNWKPW-UHFFFAOYSA-N
MW255.03 g/mol
LogP3.48
Rot. Bonds

About 6-bromo-2-methyl-3-(trifluoromethyl)phenol

6-bromo-2-methyl-3-(trifluoromethyl)phenol (PubChem CID 131341136) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name6-bromo-2-methyl-3-(trifluoromethyl)phenol
PubChem CID131341136
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name6-bromo-2-methyl-3-(trifluoromethyl)phenol
SMILESCc1c(C(F)(F)F)ccc(Br)c1O
InChIInChI=1S/C8H6BrF3O/c1-4-5(8(10,11)12)2-3-6(9)7(4)13/h2-3,13H,1H3
InChIKeyQPXGNOHDHNWKPW-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2,6-bis(trifluoromethyl)phenol
CID 118997062
2-amino-3-bromo-6-(trifluoromethyl)phenol
CID 130691630
3-bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile
CID 122237209
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)phenol
CID 171005471
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255690
1-bromo-2,3,4-tris(trifluoromethyl)benzene
CID 18349903
2-[(1S)-1-aminobut-3-enyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255695
2-[(S)-amino(cyclobutyl)methyl]-6-bromo-3-(trifluoromethyl)phenol;hydrochloride
CID 171255701
methyl (3S)-3-amino-3-[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]propanoate
CID 171255683
methyl (3S)-3-amino-3-[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoate
CID 171259029
ethyl 5-[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]-2H-triazole-4-carboxylate
CID 169401910

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-(trifluoromethyl)phenol?
The IUPAC name of 6-bromo-2-methyl-3-(trifluoromethyl)phenol (CID 131341136) is 6-bromo-2-methyl-3-(trifluoromethyl)phenol.
What is the SMILES notation for 6-bromo-2-methyl-3-(trifluoromethyl)phenol?
The canonical SMILES for 6-bromo-2-methyl-3-(trifluoromethyl)phenol is Cc1c(C(F)(F)F)ccc(Br)c1O.
What is the InChIKey of 6-bromo-2-methyl-3-(trifluoromethyl)phenol?
The InChIKey is QPXGNOHDHNWKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c1-4-5(8(10,11)12)2-3-6(9)7(4)13/h2-3,13H,1H3.
What are the key properties of 6-bromo-2-methyl-3-(trifluoromethyl)phenol?
6-bromo-2-methyl-3-(trifluoromethyl)phenol has a molecular weight of 255.03 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-(trifluoromethyl)phenol is sourced from PubChem (CID 131341136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).