CID 102330583

C3H5F3O3SZn- — CID 102330583

IUPAC—
SMILESO=S(=O)([O-])C(F)(F)F.[CH2]C.[Zn]
InChIInChI=1S/C2H5.CHF3O3S.Zn/c1-2;2-1(3,4)8(5,6)7;/h1H2,2H3;(H,5,6,7);/p-1
InChIKeyHIWFJSILNACMBD-UHFFFAOYSA-M
MW243.52 g/mol
LogP0.89
Rot. Bonds

About CID 102330583

CID 102330583 (PubChem CID 102330583) has the molecular formula C3H5F3O3SZn- and a molecular weight of 243.52 g/mol.

Molecular Properties

Compound NameCID 102330583
PubChem CID102330583
Molecular FormulaC3H5F3O3SZn-
Molecular Weight243.52 g/mol
Exact Mass241.92
IUPAC Name—
SMILESO=S(=O)([O-])C(F)(F)F.[CH2]C.[Zn]
InChIInChI=1S/C2H5.CHF3O3S.Zn/c1-2;2-1(3,4)8(5,6)7;/h1H2,2H3;(H,5,6,7);/p-1
InChIKeyHIWFJSILNACMBD-UHFFFAOYSA-M
XLogP0.89
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.52
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102330583?
The IUPAC name of CID 102330583 (CID 102330583) is not available.
What is the SMILES notation for CID 102330583?
The canonical SMILES for CID 102330583 is O=S(=O)([O-])C(F)(F)F.[CH2]C.[Zn].
What is the InChIKey of CID 102330583?
The InChIKey is HIWFJSILNACMBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5.CHF3O3S.Zn/c1-2;2-1(3,4)8(5,6)7;/h1H2,2H3;(H,5,6,7);/p-1.
What are the key properties of CID 102330583?
CID 102330583 has a molecular weight of 243.52 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102330583 is sourced from PubChem (CID 102330583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).