4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene

C13H7Cl2F3 — CID 70978710

IUPAC4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)ccc1-c1ccccc1Cl
InChIInChI=1S/C13H7Cl2F3/c14-8-5-6-9(11(7-8)13(16,17)18)10-3-1-2-4-12(10)15/h1-7H
InChIKeyGJOXEMGCAXBRNQ-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.68
Rot. Bonds1

About 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene

4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene (PubChem CID 70978710) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
PubChem CID70978710
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)ccc1-c1ccccc1Cl
InChIInChI=1S/C13H7Cl2F3/c14-8-5-6-9(11(7-8)13(16,17)18)10-3-1-2-4-12(10)15/h1-7H
InChIKeyGJOXEMGCAXBRNQ-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene (CID 70978710) is 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene?
The InChIKey is GJOXEMGCAXBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-8-5-6-9(11(7-8)13(16,17)18)10-3-1-2-4-12(10)15/h1-7H.
What are the key properties of 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene?
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene has a molecular weight of 291.10 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 70978710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).