bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane

C10H10F14O2Sn — CID 87372913

IUPACbis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane
SMILESCO[Sn](OC)(C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/2C4H2F7.2CH3O.Sn/c2*5-1-3(8,9)4(10,11)2(6)7;2*1-2;/h2*1-2H;2*1H3;/q;;2*-1;+2
InChIKeyIGWYHTUHHBVSCA-UHFFFAOYSA-N
MW546.87 g/mol
LogP4.55
Rot. Bonds10

About bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane

bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane (PubChem CID 87372913) has the molecular formula C10H10F14O2Sn and a molecular weight of 546.87 g/mol. Its IUPAC name is bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane.

Molecular Properties

Compound Namebis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane
PubChem CID87372913
Molecular FormulaC10H10F14O2Sn
Molecular Weight546.87 g/mol
Exact Mass547.95
IUPAC Namebis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane
SMILESCO[Sn](OC)(C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/2C4H2F7.2CH3O.Sn/c2*5-1-3(8,9)4(10,11)2(6)7;2*1-2;/h2*1-2H;2*1H3;/q;;2*-1;+2
InChIKeyIGWYHTUHHBVSCA-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.87
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane?
The IUPAC name of bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane (CID 87372913) is bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane.
What is the SMILES notation for bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane?
The canonical SMILES for bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane is CO[Sn](OC)(C(F)C(F)(F)C(F)(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane?
The InChIKey is IGWYHTUHHBVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H2F7.2CH3O.Sn/c2*5-1-3(8,9)4(10,11)2(6)7;2*1-2;/h2*1-2H;2*1H3;/q;;2*-1;+2.
What are the key properties of bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane?
bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane has a molecular weight of 546.87 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,3,3,4,4-heptafluorobutyl)-dimethoxystannane is sourced from PubChem (CID 87372913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).