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

C12H6Cl2FI — CID 119014852

IUPAC1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene
SMILESFc1cc(I)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FI/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6H
InChIKeyMTNBIXSSIJNHQM-UHFFFAOYSA-N
MW366.99 g/mol
LogP5.40
Rot. Bonds1

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

1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene (PubChem CID 119014852) has the molecular formula C12H6Cl2FI and a molecular weight of 366.99 g/mol. Its IUPAC name is 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene
PubChem CID119014852
Molecular FormulaC12H6Cl2FI
Molecular Weight366.99 g/mol
Exact Mass365.89
IUPAC Name1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene
SMILESFc1cc(I)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H6Cl2FI/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6H
InChIKeyMTNBIXSSIJNHQM-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.99
LogP ≤ 55.40
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

3-(2,3-dichlorophenyl)-5-fluorophenol
CID 53219615
[3-(2,3-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631435
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
1,3,5-trichloro-2-(3-fluoro-5-iodophenyl)benzene
CID 134630140
1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
CID 134617667
CID 172733378
CID 172733378
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
3-(2,3-dichlorophenyl)-5-methylaniline
CID 107579462
3-(2-chlorophenyl)-5-fluorobenzaldehyde
CID 166643026

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene?
The IUPAC name of 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene (CID 119014852) is 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene is Fc1cc(I)cc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene?
The InChIKey is MTNBIXSSIJNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FI/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6H.
What are the key properties of 1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene?
1,2-dichloro-3-(3-fluoro-5-iodophenyl)benzene has a molecular weight of 366.99 g/mol, XLogP of 5.40, 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-(3-fluoro-5-iodophenyl)benzene is sourced from PubChem (CID 119014852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).