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

C7H4BrF3O — CID 119008517

IUPAC4-bromo-5-(difluoromethyl)-2-fluorophenol
SMILESOc1cc(C(F)F)c(Br)cc1F
InChIInChI=1S/C7H4BrF3O/c8-4-2-5(9)6(12)1-3(4)7(10)11/h1-2,7,12H
InChIKeyZLLFUKDKUPAOLW-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.23
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)-2-fluorophenol

4-bromo-5-(difluoromethyl)-2-fluorophenol (PubChem CID 119008517) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-fluorophenol.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-fluorophenol
PubChem CID119008517
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name4-bromo-5-(difluoromethyl)-2-fluorophenol
SMILESOc1cc(C(F)F)c(Br)cc1F
InChIInChI=1S/C7H4BrF3O/c8-4-2-5(9)6(12)1-3(4)7(10)11/h1-2,7,12H
InChIKeyZLLFUKDKUPAOLW-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

3-bromo-4-(difluoromethyl)phenol
CID 84688064
5-amino-4-bromo-2-fluorophenol
CID 74892030
1-bromo-4-(difluoromethyl)-5-fluoro-2-iodobenzene
CID 171033090
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
2-bromo-3-(difluoromethyl)-5-fluorophenol
CID 119006418
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
2-bromo-4-fluoro-5-methylphenol
CID 84672831
4-bromo-5-cyclopropyl-2-fluorophenol
CID 155908880
3-bromo-5-(difluoromethyl)benzene-1,2-diol
CID 84700981
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluorophenol?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluorophenol (CID 119008517) is 4-bromo-5-(difluoromethyl)-2-fluorophenol.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-fluorophenol?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-fluorophenol is Oc1cc(C(F)F)c(Br)cc1F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-fluorophenol?
The InChIKey is ZLLFUKDKUPAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-4-2-5(9)6(12)1-3(4)7(10)11/h1-2,7,12H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2-fluorophenol?
4-bromo-5-(difluoromethyl)-2-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 4-bromo-5-(difluoromethyl)-2-fluorophenol is sourced from PubChem (CID 119008517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).