1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene

C13H6Cl3F3 — CID 118805005

IUPAC1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H6Cl3F3/c14-10-3-1-7(5-9(10)13(17,18)19)8-2-4-11(15)12(16)6-8/h1-6H
InChIKeyZPVRRZUGPJTYMC-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

About 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene

1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene (PubChem CID 118805005) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
PubChem CID118805005
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H6Cl3F3/c14-10-3-1-7(5-9(10)13(17,18)19)8-2-4-11(15)12(16)6-8/h1-6H
InChIKeyZPVRRZUGPJTYMC-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 130466741
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156
CID 162603813
CID 162603813
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanol
CID 146438032
5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 122358498
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene (CID 118805005) is 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1Cl.
What is the InChIKey of 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZPVRRZUGPJTYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-10-3-1-7(5-9(10)13(17,18)19)8-2-4-11(15)12(16)6-8/h1-6H.
What are the key properties of 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 325.54 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118805005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).