bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate

C10H14F10O2Sn — CID 23114991

IUPACbis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate
SMILESCC(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(C)F.C[O-].C[O-]
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
LogP1.82
Rot. Bonds6

About bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate

bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate (PubChem CID 23114991) has the molecular formula C10H14F10O2Sn and a molecular weight of 474.91 g/mol. Its IUPAC name is bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate.

Molecular Properties

Compound Namebis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate
PubChem CID23114991
Molecular FormulaC10H14F10O2Sn
Molecular Weight474.91 g/mol
Exact Mass475.99
IUPAC Namebis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate
SMILESCC(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(C)F.C[O-].C[O-]
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
XLogP1.82
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 51.82
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(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate?
The IUPAC name of bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate (CID 23114991) is bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate.
What is the SMILES notation for bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate?
The canonical SMILES for bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate is CC(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(C)F.C[O-].C[O-].
What is the InChIKey of bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate?
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 bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate?
bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate has a molecular weight of 474.91 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3-pentafluorobutyl)tin(2+);methanolate is sourced from PubChem (CID 23114991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).