bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane

C14H22F10O2Sn — CID 87372064

IUPACbis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C4H4F5.2C3H7O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2-3-4;/h2*2H,1H3;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyBATLLZOZMWDZOQ-UHFFFAOYSA-N
MW531.02 g/mol
LogP5.62
Rot. Bonds12

About bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane

bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane (PubChem CID 87372064) has the molecular formula C14H22F10O2Sn and a molecular weight of 531.02 g/mol. Its IUPAC name is bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane.

Molecular Properties

Compound Namebis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
PubChem CID87372064
Molecular FormulaC14H22F10O2Sn
Molecular Weight531.02 g/mol
Exact Mass532.05
IUPAC Namebis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F
InChIInChI=1S/2C4H4F5.2C3H7O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2-3-4;/h2*2H,1H3;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyBATLLZOZMWDZOQ-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.02
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
octoxy-[octoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23115024
bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
CID 87371103
heptoxy-tris(1,1,2,2,3-pentafluorobutyl)stannane
CID 87372400
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
[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-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839
dipropoxy-bis(4,4,4-trifluorobutyl)stannane
CID 87371066
propyl 2,2-dimethylbutanoate;tetrafluoromethane;1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctane
CID 91096390
1,1,1-trifluoro-3-propoxy-2,2-bis(trifluoromethyl)butane
CID 163452103
1,1,2,4,4,4-hexafluoro-1-propoxybutane
CID 175770445
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
CID 95757070

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane?
The IUPAC name of bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane (CID 87372064) is bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane.
What is the SMILES notation for bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane?
The canonical SMILES for bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane is CCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(C)F)C(F)(F)C(F)(F)C(C)F.
What is the InChIKey of bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane?
The InChIKey is BATLLZOZMWDZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4F5.2C3H7O.Sn/c2*1-2(5)4(8,9)3(6)7;2*1-2-3-4;/h2*2H,1H3;2*2-3H2,1H3;/q;;2*-1;+2.
What are the key properties of bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane?
bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane has a molecular weight of 531.02 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane is sourced from PubChem (CID 87372064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).