1-iodo-4-phenyl-2-(trifluoromethyl)benzene

C13H8F3I — CID 46315008

IUPAC1-iodo-4-phenyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1I
InChIInChI=1S/C13H8F3I/c14-13(15,16)11-8-10(6-7-12(11)17)9-4-2-1-3-5-9/h1-8H
InChIKeyFDLAWTXIGNJEGW-UHFFFAOYSA-N
MW348.11 g/mol
LogP4.98
Rot. Bonds1

About 1-iodo-4-phenyl-2-(trifluoromethyl)benzene

1-iodo-4-phenyl-2-(trifluoromethyl)benzene (PubChem CID 46315008) has the molecular formula C13H8F3I and a molecular weight of 348.11 g/mol. Its IUPAC name is 1-iodo-4-phenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-iodo-4-phenyl-2-(trifluoromethyl)benzene
PubChem CID46315008
Molecular FormulaC13H8F3I
Molecular Weight348.11 g/mol
Exact Mass347.96
IUPAC Name1-iodo-4-phenyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1I
InChIInChI=1S/C13H8F3I/c14-13(15,16)11-8-10(6-7-12(11)17)9-4-2-1-3-5-9/h1-8H
InChIKeyFDLAWTXIGNJEGW-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 54.98
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-iodo-4-phenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-iodo-4-phenyl-2-(trifluoromethyl)benzene (CID 46315008) is 1-iodo-4-phenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-iodo-4-phenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-iodo-4-phenyl-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2ccccc2)ccc1I.
What is the InChIKey of 1-iodo-4-phenyl-2-(trifluoromethyl)benzene?
The InChIKey is FDLAWTXIGNJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3I/c14-13(15,16)11-8-10(6-7-12(11)17)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 1-iodo-4-phenyl-2-(trifluoromethyl)benzene?
1-iodo-4-phenyl-2-(trifluoromethyl)benzene has a molecular weight of 348.11 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-phenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46315008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).