5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene

C8H2BrClF6 — CID 18349898

IUPAC5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H2BrClF6/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14,15)16/h1-2H
InChIKeyQSLPHTQNJKLXBB-UHFFFAOYSA-N
MW327.45 g/mol
LogP5.14
Rot. Bonds

About 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene

5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene (PubChem CID 18349898) has the molecular formula C8H2BrClF6 and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene
PubChem CID18349898
Molecular FormulaC8H2BrClF6
Molecular Weight327.45 g/mol
Exact Mass325.89
IUPAC Name5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H2BrClF6/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14,15)16/h1-2H
InChIKeyQSLPHTQNJKLXBB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene (CID 18349898) is 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene?
The InChIKey is QSLPHTQNJKLXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrClF6/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14,15)16/h1-2H.
What are the key properties of 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene?
5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene has a molecular weight of 327.45 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 18349898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).