1-(3-fluorophenyl)-3-iodo-5-methylbenzene

C13H10FI — CID 46312887

IUPAC1-(3-fluorophenyl)-3-iodo-5-methylbenzene
SMILESCc1cc(I)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H10FI/c1-9-5-11(8-13(15)6-9)10-3-2-4-12(14)7-10/h2-8H,1H3
InChIKeyOMKVHNROZWCMKE-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.41
Rot. Bonds1

About 1-(3-fluorophenyl)-3-iodo-5-methylbenzene

1-(3-fluorophenyl)-3-iodo-5-methylbenzene (PubChem CID 46312887) has the molecular formula C13H10FI and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-iodo-5-methylbenzene.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-iodo-5-methylbenzene
PubChem CID46312887
Molecular FormulaC13H10FI
Molecular Weight312.13 g/mol
Exact Mass311.98
IUPAC Name1-(3-fluorophenyl)-3-iodo-5-methylbenzene
SMILESCc1cc(I)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H10FI/c1-9-5-11(8-13(15)6-9)10-3-2-4-12(14)7-10/h2-8H,1H3
InChIKeyOMKVHNROZWCMKE-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.41
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-fluorophenyl)-3-iodo-5-methylbenzene?
The IUPAC name of 1-(3-fluorophenyl)-3-iodo-5-methylbenzene (CID 46312887) is 1-(3-fluorophenyl)-3-iodo-5-methylbenzene.
What is the SMILES notation for 1-(3-fluorophenyl)-3-iodo-5-methylbenzene?
The canonical SMILES for 1-(3-fluorophenyl)-3-iodo-5-methylbenzene is Cc1cc(I)cc(-c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-iodo-5-methylbenzene?
The InChIKey is OMKVHNROZWCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FI/c1-9-5-11(8-13(15)6-9)10-3-2-4-12(14)7-10/h2-8H,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-iodo-5-methylbenzene?
1-(3-fluorophenyl)-3-iodo-5-methylbenzene has a molecular weight of 312.13 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-iodo-5-methylbenzene is sourced from PubChem (CID 46312887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).