1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene

C13H6Cl3F3 — CID 134629579

IUPAC1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl3F3/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyWOPIWKPIYUROPK-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

About 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene

1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene (PubChem CID 134629579) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
PubChem CID134629579
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(Cl)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H6Cl3F3/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyWOPIWKPIYUROPK-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

1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134629587
2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
CID 119002255
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
CID 134617667
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
1,2-dichloro-3-[4-nitro-2-(trifluoromethyl)phenyl]benzene
CID 119018937
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
1,2-dichloro-3-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 119017007
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene (CID 134629579) is 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(Cl)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is WOPIWKPIYUROPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H.
What are the key properties of 1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-3-[5-chloro-2-(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-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134629579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).