bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane

C14H14F18O2Sn — CID 87371103

IUPACbis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4F9.2C3H7O.Sn/c2*5-1(6)2(7,8)3(9,10)4(11,12)13;2*1-2-3-4;/h;;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyVLWLOKDWBJTJDX-UHFFFAOYSA-N
MW674.94 g/mol
LogP7.30
Rot. Bonds12

About bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane

bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane (PubChem CID 87371103) has the molecular formula C14H14F18O2Sn and a molecular weight of 674.94 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane.

Molecular Properties

Compound Namebis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
PubChem CID87371103
Molecular FormulaC14H14F18O2Sn
Molecular Weight674.94 g/mol
Exact Mass675.97
IUPAC Namebis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
SMILESCCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4F9.2C3H7O.Sn/c2*5-1(6)2(7,8)3(9,10)4(11,12)13;2*1-2-3-4;/h;;2*2-3H2,1H3;/q;;2*-1;+2
InChIKeyVLWLOKDWBJTJDX-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.94
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,3,3,4-heptafluorobutyl)-propoxystannane
CID 23073839
bis(1,1,2,2,3-pentafluorobutyl)-dipropoxystannane
CID 87372064
[bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannyl]oxy-bis(1,1,2,2,4,4,4-heptafluorobutyl)-propoxystannane
CID 87374855
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
dipropoxy-bis(4,4,4-trifluorobutyl)stannane
CID 87371066
3,3,4,4,5,5,6,6,6-nonafluorohexyl propyl carbonate
CID 99769637
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane?
The IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane (CID 87371103) is bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane.
What is the SMILES notation for bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane?
The canonical SMILES for bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane is CCCO[Sn](OCCC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane?
The InChIKey is VLWLOKDWBJTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F9.2C3H7O.Sn/c2*5-1(6)2(7,8)3(9,10)4(11,12)13;2*1-2-3-4;/h;;2*2-3H2,1H3;/q;;2*-1;+2.
What are the key properties of bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane?
bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane has a molecular weight of 674.94 g/mol, XLogP of 7.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane is sourced from PubChem (CID 87371103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).