CID 135042803

C7H10F3O3PSn2+2 — CID 135042803

IUPAC—
SMILESCCOP(=O)(OCC)/C([Sn+])=C(\[Sn+])C(F)(F)F
InChIInChI=1S/C7H10F3O3P.2Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;;/h3-4H2,1-2H3;;/q;2*+1
InChIKeyJORYOYGBYBULLV-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.32
Rot. Bonds5

About CID 135042803

CID 135042803 (PubChem CID 135042803) has the molecular formula C7H10F3O3PSn2+2 and a molecular weight of 467.54 g/mol.

Molecular Properties

Compound NameCID 135042803
PubChem CID135042803
Molecular FormulaC7H10F3O3PSn2+2
Molecular Weight467.54 g/mol
Exact Mass469.84
IUPAC Name—
SMILESCCOP(=O)(OCC)/C([Sn+])=C(\[Sn+])C(F)(F)F
InChIInChI=1S/C7H10F3O3P.2Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;;/h3-4H2,1-2H3;;/q;2*+1
InChIKeyJORYOYGBYBULLV-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135042803?
The IUPAC name of CID 135042803 (CID 135042803) is not available.
What is the SMILES notation for CID 135042803?
The canonical SMILES for CID 135042803 is CCOP(=O)(OCC)/C([Sn+])=C(\[Sn+])C(F)(F)F.
What is the InChIKey of CID 135042803?
The InChIKey is JORYOYGBYBULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3O3P.2Sn/c1-3-12-14(11,13-4-2)6-5-7(8,9)10;;/h3-4H2,1-2H3;;/q;2*+1.
What are the key properties of CID 135042803?
CID 135042803 has a molecular weight of 467.54 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135042803 is sourced from PubChem (CID 135042803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).