2-bromo-3-(difluoromethyl)-5-fluorophenol

C7H4BrF3O — CID 119006418

IUPAC2-bromo-3-(difluoromethyl)-5-fluorophenol
SMILESOc1cc(F)cc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF3O/c8-6-4(7(10)11)1-3(9)2-5(6)12/h1-2,7,12H
InChIKeyDPIPQTDZGACQEL-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.23
Rot. Bonds1

About 2-bromo-3-(difluoromethyl)-5-fluorophenol

2-bromo-3-(difluoromethyl)-5-fluorophenol (PubChem CID 119006418) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-fluorophenol.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-fluorophenol
PubChem CID119006418
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name2-bromo-3-(difluoromethyl)-5-fluorophenol
SMILESOc1cc(F)cc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF3O/c8-6-4(7(10)11)1-3(9)2-5(6)12/h1-2,7,12H
InChIKeyDPIPQTDZGACQEL-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 171033276
2-bromo-5-fluoro-3-methylphenol
CID 118995128
1-bromo-3-(difluoromethyl)-5-fluoro-2-methylbenzene
CID 131267533
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517
4-bromo-5-(difluoromethyl)pyridin-3-ol
CID 118827771
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
3-bromo-4-(difluoromethyl)phenol
CID 84688064
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-fluorophenol?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-fluorophenol (CID 119006418) is 2-bromo-3-(difluoromethyl)-5-fluorophenol.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-fluorophenol?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-fluorophenol is Oc1cc(F)cc(C(F)F)c1Br.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-fluorophenol?
The InChIKey is DPIPQTDZGACQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-6-4(7(10)11)1-3(9)2-5(6)12/h1-2,7,12H.
What are the key properties of 2-bromo-3-(difluoromethyl)-5-fluorophenol?
2-bromo-3-(difluoromethyl)-5-fluorophenol has a molecular weight of 241.01 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-5-fluorophenol is sourced from PubChem (CID 119006418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).