di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane

C26H50F6O2Sn — CID 87372284

IUPACdi(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
SMILESCCCCCCCCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCCCCCCCC
InChIInChI=1S/2C9H19O.2C4H6F3.Sn/c2*1-2-3-4-5-6-7-8-9-10;2*1-2-3-4(5,6)7;/h2*2-9H2,1H3;2*1-3H2;/q2*-1;;;+2
InChIKeyXCQNVBNFZUROGS-UHFFFAOYSA-N
MW627.38 g/mol
LogP10.65
Rot. Bonds24

About di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane

di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane (PubChem CID 87372284) has the molecular formula C26H50F6O2Sn and a molecular weight of 627.38 g/mol. Its IUPAC name is di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namedi(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
PubChem CID87372284
Molecular FormulaC26H50F6O2Sn
Molecular Weight627.38 g/mol
Exact Mass628.27
IUPAC Namedi(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
SMILESCCCCCCCCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCCCCCCCC
InChIInChI=1S/2C9H19O.2C4H6F3.Sn/c2*1-2-3-4-5-6-7-8-9-10;2*1-2-3-4(5,6)7;/h2*2-9H2,1H3;2*1-3H2;/q2*-1;;;+2
InChIKeyXCQNVBNFZUROGS-UHFFFAOYSA-N
XLogP10.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.38
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dipropoxy-bis(4,4,4-trifluorobutyl)stannane
CID 87371066
dibutyl-di(nonoxy)stannane
CID 87642820
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
dioctyl(dipropoxy)stannane
CID 87371484
1,1,1-trifluorohexadecane
CID 15685316
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
iron(3+);1,1,1-trifluoropentane
CID 161198772
trioctyl(pentoxy)stannane
CID 87643879
icosyl 1,1,12,12,12-pentafluorododecane-1-sulfonate
CID 175162578

Frequently Asked Questions

What is the IUPAC name of di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane?
The IUPAC name of di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane (CID 87372284) is di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane.
What is the SMILES notation for di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane?
The canonical SMILES for di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane is CCCCCCCCCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)OCCCCCCCCC.
What is the InChIKey of di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane?
The InChIKey is XCQNVBNFZUROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19O.2C4H6F3.Sn/c2*1-2-3-4-5-6-7-8-9-10;2*1-2-3-4(5,6)7;/h2*2-9H2,1H3;2*1-3H2;/q2*-1;;;+2.
What are the key properties of di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane?
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane has a molecular weight of 627.38 g/mol, XLogP of 10.65, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane is sourced from PubChem (CID 87372284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).