bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)

C36H34F10O2Sn — CID 87374869

IUPACbis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)
SMILESFC(F)(F)CCC(F)(F)[Sn+2]C(F)(F)CCC(F)(F)F.[O-]CC(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H13O.2C4H4F5.Sn/c2*15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;2*5-3(6)1-2-4(7,8)9;/h2*1-10,14H,11H2;2*1-2H2;/q2*-1;;;+2
InChIKeyBUROETDFLDQQCW-UHFFFAOYSA-N
MW807.36 g/mol
LogP8.92
Rot. Bonds12

About bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)

bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) (PubChem CID 87374869) has the molecular formula C36H34F10O2Sn and a molecular weight of 807.36 g/mol. Its IUPAC name is bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate).

Molecular Properties

Compound Namebis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)
PubChem CID87374869
Molecular FormulaC36H34F10O2Sn
Molecular Weight807.36 g/mol
Exact Mass808.14
IUPAC Namebis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)
SMILESFC(F)(F)CCC(F)(F)[Sn+2]C(F)(F)CCC(F)(F)F.[O-]CC(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H13O.2C4H4F5.Sn/c2*15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;2*5-3(6)1-2-4(7,8)9;/h2*1-10,14H,11H2;2*1-2H2;/q2*-1;;;+2
InChIKeyBUROETDFLDQQCW-UHFFFAOYSA-N
XLogP8.92
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.36
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)?
The IUPAC name of bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) (CID 87374869) is bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate).
What is the SMILES notation for bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)?
The canonical SMILES for bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) is FC(F)(F)CCC(F)(F)[Sn+2]C(F)(F)CCC(F)(F)F.[O-]CC(c1ccccc1)c1ccccc1.[O-]CC(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)?
The InChIKey is BUROETDFLDQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13O.2C4H4F5.Sn/c2*15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;2*5-3(6)1-2-4(7,8)9;/h2*1-10,14H,11H2;2*1-2H2;/q2*-1;;;+2.
What are the key properties of bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate)?
bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) has a molecular weight of 807.36 g/mol, XLogP of 8.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,4,4,4-pentafluorobutyl)tin(2+);bis(2,2-diphenylethanolate) is sourced from PubChem (CID 87374869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).