dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane

C10H14F10O2Sn — CID 87371546

IUPACdimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCO[Sn](OC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C4H4F5.2CH3O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2;/h2*2H,1H3;2*1H3;/q;;2*-1;+2
InChIKeyWRCHOKFMYQWRFJ-UHFFFAOYSA-N
MW474.91 g/mol
LogP4.06
Rot. Bonds8

About dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane

dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (PubChem CID 87371546) has the molecular formula C10H14F10O2Sn and a molecular weight of 474.91 g/mol. Its IUPAC name is dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.

Molecular Properties

Compound Namedimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
PubChem CID87371546
Molecular FormulaC10H14F10O2Sn
Molecular Weight474.91 g/mol
Exact Mass475.99
IUPAC Namedimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
SMILESCO[Sn](OC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C4H4F5.2CH3O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2;/h2*2H,1H3;2*1H3;/q;;2*-1;+2
InChIKeyWRCHOKFMYQWRFJ-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 54.06
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 dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The IUPAC name of dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane (CID 87371546) is dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane.
What is the SMILES notation for dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The canonical SMILES for dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is CO[Sn](OC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
The InChIKey is WRCHOKFMYQWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4F5.2CH3O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2;/h2*2H,1H3;2*1H3;/q;;2*-1;+2.
What are the key properties of dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane?
dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane has a molecular weight of 474.91 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-bis(1,1,2,2,3-pentafluorobutyl)stannane is sourced from PubChem (CID 87371546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).