[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium

C18H13FIOS+ — CID 152894435

IUPAC[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium
SMILESCc1ccc([IH+])cc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H13FIOS/c1-11-2-7-14(20)10-15(11)18(21)17-9-8-16(22-17)12-3-5-13(19)6-4-12/h2-10,20H,1H3/q+1
InChIKeyUEBRLQLOEJIEQH-UHFFFAOYSA-N
MW423.27 g/mol
LogP1.55
Rot. Bonds3

About [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium

[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium (PubChem CID 152894435) has the molecular formula C18H13FIOS+ and a molecular weight of 423.27 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium
PubChem CID152894435
Molecular FormulaC18H13FIOS+
Molecular Weight423.27 g/mol
Exact Mass422.97
IUPAC Name[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium
SMILESCc1ccc([IH+])cc1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H13FIOS/c1-11-2-7-14(20)10-15(11)18(21)17-9-8-16(22-17)12-3-5-13(19)6-4-12/h2-10,20H,1H3/q+1
InChIKeyUEBRLQLOEJIEQH-UHFFFAOYSA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 123965479
[5-(4-fluorophenyl)thiophen-2-yl]-(3-iodo-2-methylphenyl)methanone
CID 78358353
[5-(4-fluorophenyl)thiophen-2-yl]-[2-methyl-5-[(6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]phenyl]methanone
CID 145275343
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
CID 79050472
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanone
CID 43154087
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone
CID 122660682

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium?
The IUPAC name of [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium (CID 152894435) is [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium.
What is the SMILES notation for [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium?
The canonical SMILES for [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium is Cc1ccc([IH+])cc1C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium?
The InChIKey is UEBRLQLOEJIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FIOS/c1-11-2-7-14(20)10-15(11)18(21)17-9-8-16(22-17)12-3-5-13(19)6-4-12/h2-10,20H,1H3/q+1.
What are the key properties of [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium?
[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium has a molecular weight of 423.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium is sourced from PubChem (CID 152894435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).