oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin

C16H8F26OSn — CID 11491355

IUPACoxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin
SMILESO=[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C8H4F13.O.Sn/c2*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h2*1-2H2;;
InChIKeyVCPJPAQHWCNPKF-UHFFFAOYSA-N
MW828.90 g/mol
LogP9.67
Rot. Bonds14

About oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin

oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin (PubChem CID 11491355) has the molecular formula C16H8F26OSn and a molecular weight of 828.90 g/mol. Its IUPAC name is oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin.

Molecular Properties

Compound Nameoxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin
PubChem CID11491355
Molecular FormulaC16H8F26OSn
Molecular Weight828.90 g/mol
Exact Mass829.92
IUPAC Nameoxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin
SMILESO=[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C8H4F13.O.Sn/c2*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h2*1-2H2;;
InChIKeyVCPJPAQHWCNPKF-UHFFFAOYSA-N
XLogP9.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.90
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 12596031
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
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CID 163324947
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CID 101489240
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CID 3764764
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CID 163324201
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CID 3016044
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
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Frequently Asked Questions

What is the IUPAC name of oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin?
The IUPAC name of oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin (CID 11491355) is oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin.
What is the SMILES notation for oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin?
The canonical SMILES for oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin is O=[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin?
The InChIKey is VCPJPAQHWCNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H4F13.O.Sn/c2*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;;/h2*1-2H2;;.
What are the key properties of oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin?
oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin has a molecular weight of 828.90 g/mol, XLogP of 9.67, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin is sourced from PubChem (CID 11491355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).