3-bromo-4-(difluoromethyl)phenol

C7H5BrF2O — CID 84688064

IUPAC3-bromo-4-(difluoromethyl)phenol
SMILESOc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF2O/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,7,11H
InChIKeyXCBRZTGKZKQMLV-UHFFFAOYSA-N
MW223.02 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-4-(difluoromethyl)phenol

3-bromo-4-(difluoromethyl)phenol (PubChem CID 84688064) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)phenol
PubChem CID84688064
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name3-bromo-4-(difluoromethyl)phenol
SMILESOc1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C7H5BrF2O/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,7,11H
InChIKeyXCBRZTGKZKQMLV-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

Analyze 3-bromo-4-(difluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-bromo-4-(difluoromethyl)phenyl]-2-oxoacetic acid
CID 117447172
3-[(1S)-1-amino-2,2-difluoroethyl]-4-bromophenol
CID 130988997
3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
CID 117416464
1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one
CID 131555608
4-(4-aminobutan-2-yl)-3-bromophenol
CID 82622374
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
CID 117414435
1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
CID 131572162
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
1-[3-bromo-4-(difluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117469960
3-[3-bromo-4-(difluoromethyl)phenyl]propanal
CID 117411661
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)phenol?
The IUPAC name of 3-bromo-4-(difluoromethyl)phenol (CID 84688064) is 3-bromo-4-(difluoromethyl)phenol.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)phenol?
The canonical SMILES for 3-bromo-4-(difluoromethyl)phenol is Oc1ccc(C(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(difluoromethyl)phenol?
The InChIKey is XCBRZTGKZKQMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,7,11H.
What are the key properties of 3-bromo-4-(difluoromethyl)phenol?
3-bromo-4-(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 3-bromo-4-(difluoromethyl)phenol is sourced from PubChem (CID 84688064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).