2-bromo-6-chloro-4-(trifluoromethyl)phenol

C7H3BrClF3O — CID 84714200

IUPAC2-bromo-6-chloro-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
InChIKeyOFKUAZXWDAYDPN-UHFFFAOYSA-N
MW275.45 g/mol
LogP3.83
Rot. Bonds

About 2-bromo-6-chloro-4-(trifluoromethyl)phenol

2-bromo-6-chloro-4-(trifluoromethyl)phenol (PubChem CID 84714200) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(trifluoromethyl)phenol
PubChem CID84714200
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name2-bromo-6-chloro-4-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
InChIKeyOFKUAZXWDAYDPN-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-6-chloro-o-cresol
CID 82031
2-Bromo-4-chloro-6-methylphenol
CID 613789
3-Bromo-5-chloro-4-hydroxybenzonitrile
CID 14556305
2-Bromo-6-chloro-4-fluorophenol
CID 3818635
2-Bromo-4-chloro-6-(trifluoromethyl)phenol
CID 84714198
2-Bromo-6-chloro-4-methylphenol
CID 13358044
2-Bromo-6-chloro-3,4-difluorophenol
CID 84704004
2-Bromo-6-chloro-4-[(2,6-difluoro-4-hydroxyphenyl)methyl]-3,5-difluorophenol
CID 88356861
1-Bromo-3-chloro-5-methyl-2-(trifluoromethoxy)benzene
CID 175636670
2-Bromo-6-chloro-4-(3-hydroxypropyl)phenol
CID 24823701
4-Bromo-6-chloro-2-trifluoromethylphenol
CID 74892764
2-Bromo-6-chloro-4-(fluoromethyl)phenol
CID 84701473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(trifluoromethyl)phenol?
The IUPAC name of 2-bromo-6-chloro-4-(trifluoromethyl)phenol (CID 84714200) is 2-bromo-6-chloro-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-bromo-6-chloro-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-bromo-6-chloro-4-(trifluoromethyl)phenol is Oc1c(Cl)cc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-(trifluoromethyl)phenol?
The InChIKey is OFKUAZXWDAYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H.
What are the key properties of 2-bromo-6-chloro-4-(trifluoromethyl)phenol?
2-bromo-6-chloro-4-(trifluoromethyl)phenol has a molecular weight of 275.45 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-(trifluoromethyl)phenol is sourced from PubChem (CID 84714200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).