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

C13H21F9OSn — CID 87372382

IUPACmethoxy-tris(4,4,4-trifluorobutyl)stannane
SMILESCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F
InChIInChI=1S/3C4H6F3.CH3O.Sn/c3*1-2-3-4(5,6)7;1-2;/h3*1-3H2;1H3;/q;;;-1;+1
InChIKeyTTYYRYTVBXGCPQ-UHFFFAOYSA-N
MW483.00 g/mol
LogP6.61
Rot. Bonds10

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

methoxy-tris(4,4,4-trifluorobutyl)stannane (PubChem CID 87372382) has the molecular formula C13H21F9OSn and a molecular weight of 483.00 g/mol. Its IUPAC name is methoxy-tris(4,4,4-trifluorobutyl)stannane.

Molecular Properties

Compound Namemethoxy-tris(4,4,4-trifluorobutyl)stannane
PubChem CID87372382
Molecular FormulaC13H21F9OSn
Molecular Weight483.00 g/mol
Exact Mass484.05
IUPAC Namemethoxy-tris(4,4,4-trifluorobutyl)stannane
SMILESCO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F
InChIInChI=1S/3C4H6F3.CH3O.Sn/c3*1-2-3-4(5,6)7;1-2;/h3*1-3H2;1H3;/q;;;-1;+1
InChIKeyTTYYRYTVBXGCPQ-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.00
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxy-tris(4,4,4-trifluorobutyl)stannane?
The IUPAC name of methoxy-tris(4,4,4-trifluorobutyl)stannane (CID 87372382) is methoxy-tris(4,4,4-trifluorobutyl)stannane.
What is the SMILES notation for methoxy-tris(4,4,4-trifluorobutyl)stannane?
The canonical SMILES for methoxy-tris(4,4,4-trifluorobutyl)stannane is CO[Sn](CCCC(F)(F)F)(CCCC(F)(F)F)CCCC(F)(F)F.
What is the InChIKey of methoxy-tris(4,4,4-trifluorobutyl)stannane?
The InChIKey is TTYYRYTVBXGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6F3.CH3O.Sn/c3*1-2-3-4(5,6)7;1-2;/h3*1-3H2;1H3;/q;;;-1;+1.
What are the key properties of methoxy-tris(4,4,4-trifluorobutyl)stannane?
methoxy-tris(4,4,4-trifluorobutyl)stannane has a molecular weight of 483.00 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-tris(4,4,4-trifluorobutyl)stannane is sourced from PubChem (CID 87372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).