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

C7H3BrF4O — CID 2782217

IUPAC4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKeySBSFDYRKNUCGBZ-UHFFFAOYSA-N
MW259.00 g/mol
LogP3.49
Rot. Bonds1

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

4-bromo-2-fluoro-1-(trifluoromethoxy)benzene (PubChem CID 2782217) has the molecular formula C7H3BrF4O and a molecular weight of 259.00 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
PubChem CID2782217
Molecular FormulaC7H3BrF4O
Molecular Weight259.00 g/mol
Exact Mass257.93
IUPAC Name4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
SMILESFc1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKeySBSFDYRKNUCGBZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene (CID 2782217) is 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene is Fc1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene?
The InChIKey is SBSFDYRKNUCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H.
What are the key properties of 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene?
4-bromo-2-fluoro-1-(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 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 2782217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).