CID 173415754

C13H30FSn — CID 173415754

IUPAC—
SMILESCCCCC[Sn](CCCC)CCCC.F
InChIInChI=1S/C5H11.2C4H9.FH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-5H2,2H3;2*1,3-4H2,2H3;1H;
InChIKeyHCSJHQURKHKOLH-UHFFFAOYSA-N
MW324.09 g/mol
LogP5.42
Rot. Bonds10

About CID 173415754

CID 173415754 (PubChem CID 173415754) has the molecular formula C13H30FSn and a molecular weight of 324.09 g/mol.

Molecular Properties

Compound NameCID 173415754
PubChem CID173415754
Molecular FormulaC13H30FSn
Molecular Weight324.09 g/mol
Exact Mass325.14
IUPAC Name—
SMILESCCCCC[Sn](CCCC)CCCC.F
InChIInChI=1S/C5H11.2C4H9.FH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-5H2,2H3;2*1,3-4H2,2H3;1H;
InChIKeyHCSJHQURKHKOLH-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.09
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173415754?
The IUPAC name of CID 173415754 (CID 173415754) is not available.
What is the SMILES notation for CID 173415754?
The canonical SMILES for CID 173415754 is CCCCC[Sn](CCCC)CCCC.F.
What is the InChIKey of CID 173415754?
The InChIKey is HCSJHQURKHKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2C4H9.FH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-5H2,2H3;2*1,3-4H2,2H3;1H;.
What are the key properties of CID 173415754?
CID 173415754 has a molecular weight of 324.09 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173415754 is sourced from PubChem (CID 173415754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).