1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene

C14H7BrF6 — CID 173271329

IUPAC1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF6/c15-10-4-1-8(2-5-10)11-6-3-9(13(16,17)18)7-12(11)14(19,20)21/h1-7H
InChIKeyMLZJSXQYUQWZLQ-UHFFFAOYSA-N
MW369.10 g/mol
LogP6.15
Rot. Bonds1

About 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene

1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene (PubChem CID 173271329) has the molecular formula C14H7BrF6 and a molecular weight of 369.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
PubChem CID173271329
Molecular FormulaC14H7BrF6
Molecular Weight369.10 g/mol
Exact Mass367.96
IUPAC Name1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF6/c15-10-4-1-8(2-5-10)11-6-3-9(13(16,17)18)7-12(11)14(19,20)21/h1-7H
InChIKeyMLZJSXQYUQWZLQ-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene (CID 173271329) is 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(-c2ccc(Br)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene?
The InChIKey is MLZJSXQYUQWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF6/c15-10-4-1-8(2-5-10)11-6-3-9(13(16,17)18)7-12(11)14(19,20)21/h1-7H.
What are the key properties of 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene?
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene has a molecular weight of 369.10 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 173271329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).