methoxy-tris(2,3,4-trifluorobutyl)stannane

C13H21F9OSn — CID 87372384

IUPACmethoxy-tris(2,3,4-trifluorobutyl)stannane
SMILESCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)CC(F)C(F)CF
InChIInChI=1S/3C4H6F3.CH3O.Sn/c3*1-3(6)4(7)2-5;1-2;/h3*3-4H,1-2H2;1H3;/q;;;-1;+1
InChIKeyPBTBUTPFLGAUSY-UHFFFAOYSA-N
MW483.00 g/mol
LogP4.52
Rot. Bonds13

About methoxy-tris(2,3,4-trifluorobutyl)stannane

methoxy-tris(2,3,4-trifluorobutyl)stannane (PubChem CID 87372384) has the molecular formula C13H21F9OSn and a molecular weight of 483.00 g/mol. Its IUPAC name is methoxy-tris(2,3,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namemethoxy-tris(2,3,4-trifluorobutyl)stannane
PubChem CID87372384
Molecular FormulaC13H21F9OSn
Molecular Weight483.00 g/mol
Exact Mass484.05
IUPAC Namemethoxy-tris(2,3,4-trifluorobutyl)stannane
SMILESCO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)CC(F)C(F)CF
InChIInChI=1S/3C4H6F3.CH3O.Sn/c3*1-3(6)4(7)2-5;1-2;/h3*3-4H,1-2H2;1H3;/q;;;-1;+1
InChIKeyPBTBUTPFLGAUSY-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxy-tris(2,3,4-trifluorobutyl)stannane?
The IUPAC name of methoxy-tris(2,3,4-trifluorobutyl)stannane (CID 87372384) is methoxy-tris(2,3,4-trifluorobutyl)stannane.
What is the SMILES notation for methoxy-tris(2,3,4-trifluorobutyl)stannane?
The canonical SMILES for methoxy-tris(2,3,4-trifluorobutyl)stannane is CO[Sn](CC(F)C(F)CF)(CC(F)C(F)CF)CC(F)C(F)CF.
What is the InChIKey of methoxy-tris(2,3,4-trifluorobutyl)stannane?
The InChIKey is PBTBUTPFLGAUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6F3.CH3O.Sn/c3*1-3(6)4(7)2-5;1-2;/h3*3-4H,1-2H2;1H3;/q;;;-1;+1.
What are the key properties of methoxy-tris(2,3,4-trifluorobutyl)stannane?
methoxy-tris(2,3,4-trifluorobutyl)stannane has a molecular weight of 483.00 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-tris(2,3,4-trifluorobutyl)stannane is sourced from PubChem (CID 87372384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).