[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone

C18H12FIOS — CID 78358353

IUPAC[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone
SMILESCc1c(I)cccc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FIOS/c1-11-14(3-2-4-15(11)20)18(21)17-10-9-16(22-17)12-5-7-13(19)8-6-12/h2-10H,1H3
InChIKeyCIVBVMFNXPBEBN-UHFFFAOYSA-N
MW422.26 g/mol
LogP5.70
Rot. Bonds3

About [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone

[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone (PubChem CID 78358353) has the molecular formula C18H12FIOS and a molecular weight of 422.26 g/mol. Its IUPAC name is [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone
PubChem CID78358353
Molecular FormulaC18H12FIOS
Molecular Weight422.26 g/mol
Exact Mass421.96
IUPAC Name[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone
SMILESCc1c(I)cccc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FIOS/c1-11-14(3-2-4-15(11)20)18(21)17-10-9-16(22-17)12-5-7-13(19)8-6-12/h2-10H,1H3
InChIKeyCIVBVMFNXPBEBN-UHFFFAOYSA-N
XLogP5.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.26
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone?
The IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone (CID 78358353) is [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone is Cc1c(I)cccc1C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone?
The InChIKey is CIVBVMFNXPBEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FIOS/c1-11-14(3-2-4-15(11)20)18(21)17-10-9-16(22-17)12-5-7-13(19)8-6-12/h2-10H,1H3.
What are the key properties of [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone?
[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone has a molecular weight of 422.26 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone is sourced from PubChem (CID 78358353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).