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

C7H4BrClF2O — CID 84709178

IUPAC2-bromo-6-chloro-4-(difluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)F)cc1Br
InChIInChI=1S/C7H4BrClF2O/c8-4-1-3(7(10)11)2-5(9)6(4)12/h1-2,7,12H
InChIKeyZMZOIDRMTWRYBZ-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.75
Rot. Bonds1

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

2-bromo-6-chloro-4-(difluoromethyl)phenol (PubChem CID 84709178) has the molecular formula C7H4BrClF2O and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(difluoromethyl)phenol
PubChem CID84709178
Molecular FormulaC7H4BrClF2O
Molecular Weight257.46 g/mol
Exact Mass255.91
IUPAC Name2-bromo-6-chloro-4-(difluoromethyl)phenol
SMILESOc1c(Cl)cc(C(F)F)cc1Br
InChIInChI=1S/C7H4BrClF2O/c8-4-1-3(7(10)11)2-5(9)6(4)12/h1-2,7,12H
InChIKeyZMZOIDRMTWRYBZ-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.75
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-4-chloro-6-(trifluoromethyl)phenol
CID 84714198
2-Bromo-6-chloro-4-methylphenol
CID 13358044
2-Bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
4-[(3-Bromo-5-chloro-2,6-difluoro-4-hydroxyphenyl)methyl]-2,3,5,6-tetrafluorophenol
CID 88356488
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
3-(3-Bromo-5-chloro-4-hydroxyphenyl)-2-(2-fluorophenyl)prop-2-enenitrile
CID 3930421
4-Bromo-6-chloro-2-trifluoromethylphenol
CID 74892764

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(difluoromethyl)phenol?
The IUPAC name of 2-bromo-6-chloro-4-(difluoromethyl)phenol (CID 84709178) is 2-bromo-6-chloro-4-(difluoromethyl)phenol.
What is the SMILES notation for 2-bromo-6-chloro-4-(difluoromethyl)phenol?
The canonical SMILES for 2-bromo-6-chloro-4-(difluoromethyl)phenol is Oc1c(Cl)cc(C(F)F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-(difluoromethyl)phenol?
The InChIKey is ZMZOIDRMTWRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O/c8-4-1-3(7(10)11)2-5(9)6(4)12/h1-2,7,12H.
What are the key properties of 2-bromo-6-chloro-4-(difluoromethyl)phenol?
2-bromo-6-chloro-4-(difluoromethyl)phenol has a molecular weight of 257.46 g/mol, XLogP of 3.75, 1 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-(difluoromethyl)phenol is sourced from PubChem (CID 84709178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).