dibutoxy-bis(2,3,4-trifluorobutyl)stannane

C16H30F6O2Sn — CID 87371522

IUPACdibutoxy-bis(2,3,4-trifluorobutyl)stannane
SMILESCCCCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OCCCC
InChIInChI=1S/2C4H6F3.2C4H9O.Sn/c2*1-3(6)4(7)2-5;2*1-2-3-4-5;/h2*3-4H,1-2H2;2*2-4H2,1H3;/q;;2*-1;+2
InChIKeyXYJFBYUTGKAGHO-UHFFFAOYSA-N
MW487.11 g/mol
LogP5.35
Rot. Bonds16

About dibutoxy-bis(2,3,4-trifluorobutyl)stannane

dibutoxy-bis(2,3,4-trifluorobutyl)stannane (PubChem CID 87371522) has the molecular formula C16H30F6O2Sn and a molecular weight of 487.11 g/mol. Its IUPAC name is dibutoxy-bis(2,3,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namedibutoxy-bis(2,3,4-trifluorobutyl)stannane
PubChem CID87371522
Molecular FormulaC16H30F6O2Sn
Molecular Weight487.11 g/mol
Exact Mass488.12
IUPAC Namedibutoxy-bis(2,3,4-trifluorobutyl)stannane
SMILESCCCCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OCCCC
InChIInChI=1S/2C4H6F3.2C4H9O.Sn/c2*1-3(6)4(7)2-5;2*1-2-3-4-5;/h2*3-4H,1-2H2;2*2-4H2,1H3;/q;;2*-1;+2
InChIKeyXYJFBYUTGKAGHO-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.11
LogP ≤ 55.35
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

dimethoxy-bis(2,3,4-trifluorobutyl)stannane
CID 87371114
tribromo(butoxy)stannane
CID 22477101
dibutyl-di(nonoxy)stannane
CID 87642820
butoxy-[butoxy-bis(prop-2-enyl)stannyl]oxy-bis(prop-2-enyl)stannane
CID 88603669
nonoxy-oxo-(2,3,4-trifluorobutyl)tin
CID 87370940
butoxy-[butoxy-bis(1,1,2,2,3-pentafluorobutyl)stannyl]oxy-bis(1,1,2,2,3-pentafluorobutyl)stannane
CID 23073814
tributoxy(2,3,3-trifluoropropyl)silane
CID 87364687
3-butoxy-2-fluoropropan-1-amine
CID 155690317
diheptoxy-bis(1,2,3,4,4-pentafluorobutyl)stannane
CID 87370851
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
dioctyl(dipropoxy)stannane
CID 87371484
tributoxy(ethenyl)stannane
CID 170791032

Frequently Asked Questions

What is the IUPAC name of dibutoxy-bis(2,3,4-trifluorobutyl)stannane?
The IUPAC name of dibutoxy-bis(2,3,4-trifluorobutyl)stannane (CID 87371522) is dibutoxy-bis(2,3,4-trifluorobutyl)stannane.
What is the SMILES notation for dibutoxy-bis(2,3,4-trifluorobutyl)stannane?
The canonical SMILES for dibutoxy-bis(2,3,4-trifluorobutyl)stannane is CCCCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)OCCCC.
What is the InChIKey of dibutoxy-bis(2,3,4-trifluorobutyl)stannane?
The InChIKey is XYJFBYUTGKAGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6F3.2C4H9O.Sn/c2*1-3(6)4(7)2-5;2*1-2-3-4-5;/h2*3-4H,1-2H2;2*2-4H2,1H3;/q;;2*-1;+2.
What are the key properties of dibutoxy-bis(2,3,4-trifluorobutyl)stannane?
dibutoxy-bis(2,3,4-trifluorobutyl)stannane has a molecular weight of 487.11 g/mol, XLogP of 5.35, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-bis(2,3,4-trifluorobutyl)stannane is sourced from PubChem (CID 87371522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).