2-bromo-1-fluoro-4-(trifluoromethoxy)benzene

C7H3BrF4O — CID 25067359

IUPAC2-bromo-1-fluoro-4-(trifluoromethoxy)benzene
SMILESFc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrF4O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H
InChIKeyVVVFPEJORKPEST-UHFFFAOYSA-N
MW259.00 g/mol
LogP3.49
Rot. Bonds1

About 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene

2-bromo-1-fluoro-4-(trifluoromethoxy)benzene (PubChem CID 25067359) has the molecular formula C7H3BrF4O and a molecular weight of 259.00 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(trifluoromethoxy)benzene
PubChem CID25067359
Molecular FormulaC7H3BrF4O
Molecular Weight259.00 g/mol
Exact Mass257.93
IUPAC Name2-bromo-1-fluoro-4-(trifluoromethoxy)benzene
SMILESFc1ccc(OC(F)(F)F)cc1Br
InChIInChI=1S/C7H3BrF4O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H
InChIKeyVVVFPEJORKPEST-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.00
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene 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

4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
3-Bromoanisole
CID 16971
4-(Trifluoromethoxy)fluorobenzene
CID 67698
2-Bromo-4-fluoroanisole
CID 136292
1-Bromo-3-(trifluoromethoxy)benzene
CID 519964
1-Bromo-4-(trifluoromethoxy)benzene
CID 521008
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
CID 2782217
Benzene, 1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-
CID 111643
5-Bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 15219533
4-Bromo-2-fluoroanisole
CID 75378
3-(Difluoromethoxy)bromobenzene
CID 2737006

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene (CID 25067359) is 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene is Fc1ccc(OC(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene?
The InChIKey is VVVFPEJORKPEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H.
What are the key properties of 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene?
2-bromo-1-fluoro-4-(trifluoromethoxy)benzene has a molecular weight of 259.00 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 25067359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).