5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene

C13H5BrF6 — CID 150640435

IUPAC5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Br)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H5BrF6/c14-7-1-2-8(9(15)5-7)6-3-10(16)12(11(17)4-6)13(18,19)20/h1-5H
InChIKeyIZUCFCZASZEDHC-UHFFFAOYSA-N
MW355.08 g/mol
LogP5.55
Rot. Bonds1

About 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene

5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 150640435) has the molecular formula C13H5BrF6 and a molecular weight of 355.08 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID150640435
Molecular FormulaC13H5BrF6
Molecular Weight355.08 g/mol
Exact Mass353.95
IUPAC Name5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(Br)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H5BrF6/c14-7-1-2-8(9(15)5-7)6-3-10(16)12(11(17)4-6)13(18,19)20/h1-5H
InChIKeyIZUCFCZASZEDHC-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.08
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene (CID 150640435) is 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene is Fc1cc(Br)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is IZUCFCZASZEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF6/c14-7-1-2-8(9(15)5-7)6-3-10(16)12(11(17)4-6)13(18,19)20/h1-5H.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene?
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 355.08 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 150640435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).