1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene

C14H6Cl2F6 — CID 173271206

IUPAC1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl2F6/c15-11-4-1-7(5-12(11)16)9-3-2-8(13(17,18)19)6-10(9)14(20,21)22/h1-6H
InChIKeyURARRHIMDCQGOF-UHFFFAOYSA-N
MW359.10 g/mol
LogP6.70
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene

1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene (PubChem CID 173271206) has the molecular formula C14H6Cl2F6 and a molecular weight of 359.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
PubChem CID173271206
Molecular FormulaC14H6Cl2F6
Molecular Weight359.10 g/mol
Exact Mass357.98
IUPAC Name1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl2F6/c15-11-4-1-7(5-12(11)16)9-3-2-8(13(17,18)19)6-10(9)14(20,21)22/h1-6H
InChIKeyURARRHIMDCQGOF-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.10
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene (CID 173271206) is 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene?
The InChIKey is URARRHIMDCQGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F6/c15-11-4-1-7(5-12(11)16)9-3-2-8(13(17,18)19)6-10(9)14(20,21)22/h1-6H.
What are the key properties of 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene?
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene has a molecular weight of 359.10 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 173271206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).