[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane

C32H26F28O3Sn2 — CID 23115073

IUPAC[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane
SMILESCC(O[Sn](O[Sn](OC(C)c1ccccc1)(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)C(F)(F)C(F)(F)C(F)(F)CF)c1ccccc1
InChIInChI=1S/2C8H9O.4C4H2F7.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*2-7H,1H3;4*1H2;;;/q2*-1;;;;;;2*+1
InChIKeySHUDQDOQLGSOER-UHFFFAOYSA-N
MW1227.92 g/mol
LogP13.10
Rot. Bonds24

About [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane

[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane (PubChem CID 23115073) has the molecular formula C32H26F28O3Sn2 and a molecular weight of 1227.92 g/mol. Its IUPAC name is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane.

Molecular Properties

Compound Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane
PubChem CID23115073
Molecular FormulaC32H26F28O3Sn2
Molecular Weight1227.92 g/mol
Exact Mass1229.95
IUPAC Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane
SMILESCC(O[Sn](O[Sn](OC(C)c1ccccc1)(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)C(F)(F)C(F)(F)C(F)(F)CF)c1ccccc1
InChIInChI=1S/2C8H9O.4C4H2F7.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*2-7H,1H3;4*1H2;;;/q2*-1;;;;;;2*+1
InChIKeySHUDQDOQLGSOER-UHFFFAOYSA-N
XLogP13.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.92
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane with MolForge

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Related Compounds

[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
CID 23115069
[diphenyl(1-phenylethoxy)stannyl]oxy-diphenyl-(1-phenylethoxy)stannane
CID 23073817
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839
1,1,2,2,3,3,4-heptafluorobutoxybenzene
CID 88595618
[(1S)-1-phenylethyl] 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
CID 11227162
(2,2,3-trifluoro-1-phenylpropyl)benzene
CID 21049795
1-(chloromethoxy)ethylbenzene
CID 13140582
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
CID 154695390
methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite
CID 91163968
2-phenylpropyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
CID 11815207
N,N'-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N,N'-bis[(1S)-1-phenylethyl]ethane-1,2-diamine
CID 11815681

Frequently Asked Questions

What is the IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane?
The IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane (CID 23115073) is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane.
What is the SMILES notation for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane?
The canonical SMILES for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane is CC(O[Sn](O[Sn](OC(C)c1ccccc1)(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)C(F)(F)C(F)(F)C(F)(F)CF)c1ccccc1.
What is the InChIKey of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane?
The InChIKey is SHUDQDOQLGSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9O.4C4H2F7.O.2Sn/c2*1-7(9)8-5-3-2-4-6-8;4*5-1-3(8,9)4(10,11)2(6)7;;;/h2*2-7H,1H3;4*1H2;;;/q2*-1;;;;;;2*+1.
What are the key properties of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane?
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane has a molecular weight of 1227.92 g/mol, XLogP of 13.10, 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)-(1-phenylethoxy)stannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-(1-phenylethoxy)stannane is sourced from PubChem (CID 23115073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).