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

C13H6Cl2F3I — CID 134617667

IUPAC1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2Cl)ccc1I
InChIInChI=1S/C13H6Cl2F3I/c14-10-3-1-2-8(12(10)15)7-4-5-11(19)9(6-7)13(16,17)18/h1-6H
InChIKeyZMHPNWNFJJNRPG-UHFFFAOYSA-N
MW417.00 g/mol
LogP6.28
Rot. Bonds1

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

1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene (PubChem CID 134617667) has the molecular formula C13H6Cl2F3I and a molecular weight of 417.00 g/mol. Its IUPAC name is 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
PubChem CID134617667
Molecular FormulaC13H6Cl2F3I
Molecular Weight417.00 g/mol
Exact Mass415.88
IUPAC Name1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1cc(-c2cccc(Cl)c2Cl)ccc1I
InChIInChI=1S/C13H6Cl2F3I/c14-10-3-1-2-8(12(10)15)7-4-5-11(19)9(6-7)13(16,17)18/h1-6H
InChIKeyZMHPNWNFJJNRPG-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.00
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-4-phenyl-2-(trifluoromethyl)benzene
CID 46315008
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene
CID 119014852
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
methyl 6-(2,3-dichlorophenyl)-1-hydroxy-4-(trifluoromethyl)indole-2-carboxylate
CID 71616677
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
1,3-dichloro-2-[4-iodo-2-(trifluoromethyl)phenyl]benzene
CID 118994725
1,2-dichloro-3-[4-nitro-2-(trifluoromethyl)phenyl]benzene
CID 119018937

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene (CID 134617667) is 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1cc(-c2cccc(Cl)c2Cl)ccc1I.
What is the InChIKey of 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZMHPNWNFJJNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3I/c14-10-3-1-2-8(12(10)15)7-4-5-11(19)9(6-7)13(16,17)18/h1-6H.
What are the key properties of 1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene?
1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene has a molecular weight of 417.00 g/mol, XLogP of 6.28, 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-[4-iodo-3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134617667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).