bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane

C14H20F12O2Sn — CID 151771699

IUPACbis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)CC(F)(F)F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/2C4H3F6.2C3H7O.Sn/c2*5-2(3(6)7)1-4(8,9)10;2*1-2-3-4;/h2*2H,1H2;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyRSSIQBBWNZYYRI-UHFFFAOYSA-N
MW567.00 g/mol
LogP6.21
Rot. Bonds12

About bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane

bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane (PubChem CID 151771699) has the molecular formula C14H20F12O2Sn and a molecular weight of 567.00 g/mol. Its IUPAC name is bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane.

Molecular Properties

Compound Namebis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
PubChem CID151771699
Molecular FormulaC14H20F12O2Sn
Molecular Weight567.00 g/mol
Exact Mass568.03
IUPAC Namebis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)CC(F)(F)F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/2C4H3F6.2C3H7O.Sn/c2*5-2(3(6)7)1-4(8,9)10;2*1-2-3-4;/h2*2H,1H2;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyRSSIQBBWNZYYRI-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.00
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane?
The IUPAC name of bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane (CID 151771699) is bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane.
What is the SMILES notation for bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane?
The canonical SMILES for bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane is CCCO[Sn](OCCC)(C(F)(F)C(F)CC(F)(F)F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane?
The InChIKey is RSSIQBBWNZYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3F6.2C3H7O.Sn/c2*5-2(3(6)7)1-4(8,9)10;2*1-2-3-4;/h2*2H,1H2;2*2-3H2,1H3;/q;;2*-1;+2.
What are the key properties of bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane?
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane has a molecular weight of 567.00 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane is sourced from PubChem (CID 151771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).