4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene

C13H7BrClF3 — CID 90985566

IUPAC4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C13H7BrClF3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyWVMHSWBHGOHSCB-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.79
Rot. Bonds1

About 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene

4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene (PubChem CID 90985566) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene
PubChem CID90985566
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C13H7BrClF3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyWVMHSWBHGOHSCB-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene (CID 90985566) is 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2cccc(Br)c2)ccc1Cl.
What is the InChIKey of 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene?
The InChIKey is WVMHSWBHGOHSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H.
What are the key properties of 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene?
4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene has a molecular weight of 335.55 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-chloro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 90985566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).