4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene

C19H14FI — CID 144502966

IUPAC4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3)cc2I)cc1
InChIInChI=1S/C19H14FI/c1-13-2-4-15(5-3-13)18-11-8-16(12-19(18)21)14-6-9-17(20)10-7-14/h2-12H,1H3
InChIKeyOFXHLIUJBYJBHU-UHFFFAOYSA-N
MW388.22 g/mol
LogP6.07
Rot. Bonds2

About 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene

4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene (PubChem CID 144502966) has the molecular formula C19H14FI and a molecular weight of 388.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
PubChem CID144502966
Molecular FormulaC19H14FI
Molecular Weight388.22 g/mol
Exact Mass388.01
IUPAC Name4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3)cc2I)cc1
InChIInChI=1S/C19H14FI/c1-13-2-4-15(5-3-13)18-11-8-16(12-19(18)21)14-6-9-17(20)10-7-14/h2-12H,1H3
InChIKeyOFXHLIUJBYJBHU-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.22
LogP ≤ 56.07
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

2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
3-(4-fluorophenyl)-4-(4-methylphenyl)aniline
CID 157225237
5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
CID 163416847
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
2-(bromomethyl)-4-fluoro-1-(4-methylphenyl)benzene
CID 141469251
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene?
The IUPAC name of 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene (CID 144502966) is 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene.
What is the SMILES notation for 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene?
The canonical SMILES for 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(-c3ccc(F)cc3)cc2I)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene?
The InChIKey is OFXHLIUJBYJBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FI/c1-13-2-4-15(5-3-13)18-11-8-16(12-19(18)21)14-6-9-17(20)10-7-14/h2-12H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene?
4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene has a molecular weight of 388.22 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-iodo-1-(4-methylphenyl)benzene is sourced from PubChem (CID 144502966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).