1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene

C8H2BrF7O — CID 171033015

IUPAC1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)c(OC(F)(F)F)cc1Br
InChIInChI=1S/C8H2BrF7O/c9-4-2-6(17-8(14,15)16)3(1-5(4)10)7(11,12)13/h1-2H
InChIKeyALGIPQYEKFPNPR-UHFFFAOYSA-N
MW326.99 g/mol
LogP4.51
Rot. Bonds1

About 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene

1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene (PubChem CID 171033015) has the molecular formula C8H2BrF7O and a molecular weight of 326.99 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
PubChem CID171033015
Molecular FormulaC8H2BrF7O
Molecular Weight326.99 g/mol
Exact Mass325.92
IUPAC Name1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)c(OC(F)(F)F)cc1Br
InChIInChI=1S/C8H2BrF7O/c9-4-2-6(17-8(14,15)16)3(1-5(4)10)7(11,12)13/h1-2H
InChIKeyALGIPQYEKFPNPR-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.99
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 119024432
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
1-iodo-4-(trifluoromethoxy)-2,5-bis(trifluoromethyl)benzene
CID 118847326
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838
1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171009079
1,4-dibromo-2-fluoro-5-(2,2,2-trifluoroethoxy)benzene
CID 169337045

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene (CID 171033015) is 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)c(OC(F)(F)F)cc1Br.
What is the InChIKey of 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The InChIKey is ALGIPQYEKFPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF7O/c9-4-2-6(17-8(14,15)16)3(1-5(4)10)7(11,12)13/h1-2H.
What are the key properties of 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene has a molecular weight of 326.99 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 171033015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).