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

C7H3BrClF3O — CID 74892764

IUPAC4-bromo-2-chloro-6-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrClF3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2,13H
InChIKeyIJRWMQHKKATCDQ-UHFFFAOYSA-N
MW275.45 g/mol
LogP3.83
Rot. Bonds

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

4-bromo-2-chloro-6-(trifluoromethyl)phenol (PubChem CID 74892764) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(trifluoromethyl)phenol
PubChem CID74892764
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name4-bromo-2-chloro-6-(trifluoromethyl)phenol
SMILESOc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H3BrClF3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2,13H
InChIKeyIJRWMQHKKATCDQ-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
2-Bromo-4-chloro-6-(trifluoromethyl)phenol
CID 84714198
5-Bromo-3-chloro-2-hydroxybenzonitrile
CID 118193979
2-Bromo-6-chloro-4-methylphenol
CID 13358044
2-Bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
2-(3-Bromo-2-fluorophenyl)-6-chlorophenol
CID 146513328
4-Bromo-2-chloro-6-(hydroxymethyl)phenol
CID 17604181
1-Bromo-3-chloro-4-methoxy-5-(trifluoromethyl)benzene
CID 74891322
2-Bromo-6-chloro-4-(fluoromethyl)phenol
CID 84701473
2-Bromo-6-chloro-4-(1-fluoroethyl)phenol
CID 84707949
2-Bromo-6-chloro-4-(difluoromethyl)phenol
CID 84709178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(trifluoromethyl)phenol?
The IUPAC name of 4-bromo-2-chloro-6-(trifluoromethyl)phenol (CID 74892764) is 4-bromo-2-chloro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-bromo-2-chloro-6-(trifluoromethyl)phenol is Oc1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-chloro-6-(trifluoromethyl)phenol?
The InChIKey is IJRWMQHKKATCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2,13H.
What are the key properties of 4-bromo-2-chloro-6-(trifluoromethyl)phenol?
4-bromo-2-chloro-6-(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 4-bromo-2-chloro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 74892764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).