[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane

C22H22F28O3Sn2 — CID 23073839

IUPAC[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
SMILESCCCO[Sn](O[Sn](OCCC)(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
InChIInChI=1S/4C4H2F7.2C3H7O.O.2Sn/c4*5-1-3(8,9)4(10,11)2(6)7;2*1-2-3-4;;;/h4*1H2;2*2-3H2,1H3;;;/q;;;;2*-1;;2*+1
InChIKeyGCZNZQWPLMXOAJ-UHFFFAOYSA-N
MW1103.78 g/mol
LogP10.40
Rot. Bonds24

About [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane

[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane (PubChem CID 23073839) has the molecular formula C22H22F28O3Sn2 and a molecular weight of 1103.78 g/mol. Its IUPAC name is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane.

Molecular Properties

Compound Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
PubChem CID23073839
Molecular FormulaC22H22F28O3Sn2
Molecular Weight1103.78 g/mol
Exact Mass1105.92
IUPAC Name[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
SMILESCCCO[Sn](O[Sn](OCCC)(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
InChIInChI=1S/4C4H2F7.2C3H7O.O.2Sn/c4*5-1-3(8,9)4(10,11)2(6)7;2*1-2-3-4;;;/h4*1H2;2*2-3H2,1H3;;;/q;;;;2*-1;;2*+1
InChIKeyGCZNZQWPLMXOAJ-UHFFFAOYSA-N
XLogP10.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.78
LogP ≤ 510.40
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

[bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannane
CID 87374855
bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
CID 87371103
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-phenylmethoxystannane
CID 23115069
[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
bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
CID 87372064
butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
1,1,2,2,3,3,4-heptafluorobutyl dipropyl phosphate
CID 87919122
octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23115024
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
dipropoxy-bis(4,4,4-trifluorobutyl)stannane
CID 87371066
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211

Frequently Asked Questions

What is the IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane?
The IUPAC name of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane (CID 23073839) is [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane.
What is the SMILES notation for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane?
The canonical SMILES for [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane is CCCO[Sn](O[Sn](OCCC)(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.
What is the InChIKey of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane?
The InChIKey is GCZNZQWPLMXOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H2F7.2C3H7O.O.2Sn/c4*5-1-3(8,9)4(10,11)2(6)7;2*1-2-3-4;;;/h4*1H2;2*2-3H2,1H3;;;/q;;;;2*-1;;2*+1.
What are the key properties of [bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane?
[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane has a molecular weight of 1103.78 g/mol, XLogP of 10.40, 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)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane is sourced from PubChem (CID 23073839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).