4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol

C10H11FINO3S — CID 114259861

IUPAC4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1
InChIInChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyCWPQOIUXUCZPIZ-UHFFFAOYSA-N
MW371.17 g/mol
LogP1.00
Rot. Bonds2

About 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol

4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol (PubChem CID 114259861) has the molecular formula C10H11FINO3S and a molecular weight of 371.17 g/mol. Its IUPAC name is 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
PubChem CID114259861
Molecular FormulaC10H11FINO3S
Molecular Weight371.17 g/mol
Exact Mass370.95
IUPAC Name4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1
InChIInChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyCWPQOIUXUCZPIZ-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol (CID 114259861) is 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1.
What is the InChIKey of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The InChIKey is CWPQOIUXUCZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2.
What are the key properties of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol has a molecular weight of 371.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 114259861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).