1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene

C12H5Cl3FI — CID 134630140

IUPAC1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene
SMILESFc1cc(I)cc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl3FI/c13-7-3-10(14)12(11(15)4-7)6-1-8(16)5-9(17)2-6/h1-5H
InChIKeyKHPSOUFPEDPGOE-UHFFFAOYSA-N
MW401.43 g/mol
LogP6.06
Rot. Bonds1

About 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene

1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene (PubChem CID 134630140) has the molecular formula C12H5Cl3FI and a molecular weight of 401.43 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene
PubChem CID134630140
Molecular FormulaC12H5Cl3FI
Molecular Weight401.43 g/mol
Exact Mass399.85
IUPAC Name1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene
SMILESFc1cc(I)cc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl3FI/c13-7-3-10(14)12(11(15)4-7)6-1-8(16)5-9(17)2-6/h1-5H
InChIKeyKHPSOUFPEDPGOE-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene (CID 134630140) is 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene is Fc1cc(I)cc(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene?
The InChIKey is KHPSOUFPEDPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FI/c13-7-3-10(14)12(11(15)4-7)6-1-8(16)5-9(17)2-6/h1-5H.
What are the key properties of 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene?
1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene has a molecular weight of 401.43 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene is sourced from PubChem (CID 134630140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).