bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate

C10H10F14O2Sn — CID 23114988

IUPACbis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate
SMILESC[O-].C[O-].FCC(F)(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/2C4H2F7.2CH3O.Sn/c2*5-1-3(8,9)4(10,11)2(6)7;2*1-2;/h2*1H2;2*1H3;/q;;2*-1;+2
InChIKeyGYSCMXAFZCOGNT-UHFFFAOYSA-N
MW546.87 g/mol
LogP2.31
Rot. Bonds8

About bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate

bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate (PubChem CID 23114988) has the molecular formula C10H10F14O2Sn and a molecular weight of 546.87 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate.

Molecular Properties

Compound Namebis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate
PubChem CID23114988
Molecular FormulaC10H10F14O2Sn
Molecular Weight546.87 g/mol
Exact Mass547.95
IUPAC Namebis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate
SMILESC[O-].C[O-].FCC(F)(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/2C4H2F7.2CH3O.Sn/c2*5-1-3(8,9)4(10,11)2(6)7;2*1-2;/h2*1H2;2*1H3;/q;;2*-1;+2
InChIKeyGYSCMXAFZCOGNT-UHFFFAOYSA-N
XLogP2.31
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.87
LogP ≤ 52.31
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(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate?
The IUPAC name of bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate (CID 23114988) is bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate.
What is the SMILES notation for bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate?
The canonical SMILES for bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate is C[O-].C[O-].FCC(F)(F)C(F)(F)C(F)(F)[Sn+2]C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate?
The InChIKey is GYSCMXAFZCOGNT-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*1H2;2*1H3;/q;;2*-1;+2.
What are the key properties of bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate?
bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate has a molecular weight of 546.87 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,4-heptafluorobutyl)tin(2+);methanolate is sourced from PubChem (CID 23114988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).