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

C13H6Cl3F3 — CID 134627973

IUPAC1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl3F3/c14-8-2-3-9(10(6-8)13(17,18)19)7-1-4-11(15)12(16)5-7/h1-6H
InChIKeyRCCFVKJKJANTGZ-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

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

1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene (PubChem CID 134627973) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
PubChem CID134627973
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl3F3/c14-8-2-3-9(10(6-8)13(17,18)19)7-1-4-11(15)12(16)5-7/h1-6H
InChIKeyRCCFVKJKJANTGZ-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-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 168665303
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358482
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
[5-chloro-2-(3,4-dichlorophenyl)phenyl]methanol
CID 71251754
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene (CID 134627973) is 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is RCCFVKJKJANTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-8-2-3-9(10(6-8)13(17,18)19)7-1-4-11(15)12(16)5-7/h1-6H.
What are the key properties of 1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-4-[4-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-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).