1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene

C7H2Br2F4O — CID 118813366

IUPAC1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H2Br2F4O/c8-4-1-3(10)2-5(9)6(4)14-7(11,12)13/h1-2H
InChIKeySVWCJFGXKMXDAG-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.25
Rot. Bonds1

About 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene

1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 118813366) has the molecular formula C7H2Br2F4O and a molecular weight of 337.89 g/mol. Its IUPAC name is 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
PubChem CID118813366
Molecular FormulaC7H2Br2F4O
Molecular Weight337.89 g/mol
Exact Mass335.84
IUPAC Name1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)c(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H2Br2F4O/c8-4-1-3(10)2-5(9)6(4)14-7(11,12)13/h1-2H
InChIKeySVWCJFGXKMXDAG-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745
4-bromo-6-fluoro-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 118838899
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
5-amino-3-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287437
3-amino-5-bromo-4-(trifluoromethoxy)benzamide
CID 131327228
1-bromo-5-fluoro-2-(methoxymethoxy)-3-(trifluoromethyl)benzene
CID 171368249
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene (CID 118813366) is 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene is Fc1cc(Br)c(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is SVWCJFGXKMXDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F4O/c8-4-1-3(10)2-5(9)6(4)14-7(11,12)13/h1-2H.
What are the key properties of 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene?
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 337.89 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 118813366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).