4-bromo-3-(difluoromethyl)phenol

C7H5BrF2O — CID 83854626

IUPAC4-bromo-3-(difluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C7H5BrF2O/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7,11H
InChIKeyOIIMOBHFWYLZBY-UHFFFAOYSA-N
MW223.02 g/mol
LogP3.09
Rot. Bonds1

About 4-bromo-3-(difluoromethyl)phenol

4-bromo-3-(difluoromethyl)phenol (PubChem CID 83854626) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)phenol
PubChem CID83854626
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name4-bromo-3-(difluoromethyl)phenol
SMILESOc1ccc(Br)c(C(F)F)c1
InChIInChI=1S/C7H5BrF2O/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7,11H
InChIKeyOIIMOBHFWYLZBY-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Tribromo-m-cresol
CID 20737
3-(Trifluoromethyl)phenol
CID 7376
4-Bromo-2-methylphenol
CID 16896
4-Bromo-m-cresol
CID 72857
4-Bromo-3,5-dimethylphenol
CID 81970
2-Bromo-5-methylphenol
CID 228638
2-Bromo-4-(trifluoromethyl)phenol
CID 2761168
3-Bromo-2-methylphenol
CID 11171430
2-Bromo-3-methylphenol
CID 265090
3-Bromo-4-methylphenol
CID 10307913
3-(Bromomethyl)phenol
CID 13740150
4-Bromo-2,5-dimethylphenol
CID 13974657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)phenol?
The IUPAC name of 4-bromo-3-(difluoromethyl)phenol (CID 83854626) is 4-bromo-3-(difluoromethyl)phenol.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)phenol?
The canonical SMILES for 4-bromo-3-(difluoromethyl)phenol is Oc1ccc(Br)c(C(F)F)c1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)phenol?
The InChIKey is OIIMOBHFWYLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7,11H.
What are the key properties of 4-bromo-3-(difluoromethyl)phenol?
4-bromo-3-(difluoromethyl)phenol has a molecular weight of 223.02 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)phenol is sourced from PubChem (CID 83854626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).