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

C13H6Cl3F3 — CID 119002255

IUPAC2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H6Cl3F3/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)16)13(17,18)19/h1-6H
InChIKeyGOHRQLKZWDTQTC-UHFFFAOYSA-N
MW325.54 g/mol
LogP6.33
Rot. Bonds1

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

2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene (PubChem CID 119002255) has the molecular formula C13H6Cl3F3 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
PubChem CID119002255
Molecular FormulaC13H6Cl3F3
Molecular Weight325.54 g/mol
Exact Mass323.95
IUPAC Name2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cccc(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H6Cl3F3/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)16)13(17,18)19/h1-6H
InChIKeyGOHRQLKZWDTQTC-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

2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1-[2-(bromomethyl)-6-(trifluoromethyl)phenyl]-2,3,5-trichlorobenzene
CID 134617183
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene (CID 119002255) is 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cccc(-c2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is GOHRQLKZWDTQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3F3/c14-7-4-5-8(11(15)6-7)9-2-1-3-10(12(9)16)13(17,18)19/h1-6H.
What are the key properties of 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene?
2,4-dichloro-1-[2-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 2,4-dichloro-1-[2-chloro-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119002255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).