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

C13H6Cl3F3 — CID 134625918

IUPAC1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H6Cl3F3/c14-8-2-4-11(15)9(6-8)7-1-3-10(12(16)5-7)13(17,18)19/h1-6H
InChIKeyAQZBRSVKMMDRQW-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

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

1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene (PubChem CID 134625918) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
PubChem CID134625918
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H6Cl3F3/c14-8-2-4-11(15)9(6-8)7-1-3-10(12(16)5-7)13(17,18)19/h1-6H
InChIKeyAQZBRSVKMMDRQW-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

1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
CID 69435849
CID 69435849
4-chloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 107289657
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
[5-(2,5-dichlorophenyl)-2-fluorophenyl]methanol
CID 118824338
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene (CID 134625918) is 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene?
The InChIKey is AQZBRSVKMMDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-8-2-4-11(15)9(6-8)7-1-3-10(12(16)5-7)13(17,18)19/h1-6H.
What are the key properties of 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene?
1,4-dichloro-2-[3-chloro-4-(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 1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134625918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).