[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane

C30H22F28O3Sn2 — CID 23115069

IUPAC[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
SMILESFCC(F)(F)C(F)(F)C(F)(F)[Sn](OCc1ccccc1)(O[Sn](OCc1ccccc1)(C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/2C7H7O.4C4H2F7.O.2Sn/c2*8-6-7-4-2-1-3-5-7;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*1-5H,6H2;4*1H2;;;/q2*-1;;;;;;2*+1
InChIKeyIJYZMGHKMOFCPZ-UHFFFAOYSA-N
MW1199.87 g/mol
LogP11.98
Rot. Bonds24

About [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane

[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane (PubChem CID 23115069) has the molecular formula C30H22F28O3Sn2 and a molecular weight of 1199.87 g/mol. Its IUPAC name is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane.

Molecular Properties

Compound Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
PubChem CID23115069
Molecular FormulaC30H22F28O3Sn2
Molecular Weight1199.87 g/mol
Exact Mass1201.92
IUPAC Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
SMILESFCC(F)(F)C(F)(F)C(F)(F)[Sn](OCc1ccccc1)(O[Sn](OCc1ccccc1)(C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/2C7H7O.4C4H2F7.O.2Sn/c2*8-6-7-4-2-1-3-5-7;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*1-5H,6H2;4*1H2;;;/q2*-1;;;;;;2*+1
InChIKeyIJYZMGHKMOFCPZ-UHFFFAOYSA-N
XLogP11.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.87
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane?
The IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane (CID 23115069) is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane.
What is the SMILES notation for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane?
The canonical SMILES for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane is FCC(F)(F)C(F)(F)C(F)(F)[Sn](OCc1ccccc1)(O[Sn](OCc1ccccc1)(C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane?
The InChIKey is IJYZMGHKMOFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O.4C4H2F7.O.2Sn/c2*8-6-7-4-2-1-3-5-7;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*1-5H,6H2;4*1H2;;;/q2*-1;;;;;;2*+1.
What are the key properties of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane?
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane has a molecular weight of 1199.87 g/mol, XLogP of 11.98, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane is sourced from PubChem (CID 23115069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).