1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene

C14H9BrClF3 — CID 66252198

IUPAC1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
SMILESCc1cccc(Cl)c1-c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrClF3/c1-8-3-2-4-12(16)13(8)9-5-6-11(15)10(7-9)14(17,18)19/h2-7H,1H3
InChIKeyBPYBBZCLXUXEOG-UHFFFAOYSA-N
MW349.58 g/mol
LogP6.10
Rot. Bonds1

About 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene

1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene (PubChem CID 66252198) has the molecular formula C14H9BrClF3 and a molecular weight of 349.58 g/mol. Its IUPAC name is 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
PubChem CID66252198
Molecular FormulaC14H9BrClF3
Molecular Weight349.58 g/mol
Exact Mass347.95
IUPAC Name1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene
SMILESCc1cccc(Cl)c1-c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrClF3/c1-8-3-2-4-12(16)13(8)9-5-6-11(15)10(7-9)14(17,18)19/h2-7H,1H3
InChIKeyBPYBBZCLXUXEOG-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene (CID 66252198) is 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene is Cc1cccc(Cl)c1-c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene?
The InChIKey is BPYBBZCLXUXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3/c1-8-3-2-4-12(16)13(8)9-5-6-11(15)10(7-9)14(17,18)19/h2-7H,1H3.
What are the key properties of 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene?
1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene has a molecular weight of 349.58 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 66252198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).