tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane

C25H49F3Sn — CID 134848075

IUPACtributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane
SMILESCCCCCCCCCC/C=C(\C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H22F3.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13(14,15)16;3*1-3-4-2;/h11H,2-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYXCLNQODKFGYNM-UHFFFAOYSA-N
MW525.37 g/mol
LogP10.39
Rot. Bonds19

About tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane

tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane (PubChem CID 134848075) has the molecular formula C25H49F3Sn and a molecular weight of 525.37 g/mol. Its IUPAC name is tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane
PubChem CID134848075
Molecular FormulaC25H49F3Sn
Molecular Weight525.37 g/mol
Exact Mass526.28
IUPAC Nametributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane
SMILESCCCCCCCCCC/C=C(\C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H22F3.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13(14,15)16;3*1-3-4-2;/h11H,2-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYXCLNQODKFGYNM-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.37
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane?
The IUPAC name of tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane (CID 134848075) is tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane.
What is the SMILES notation for tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane?
The canonical SMILES for tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane is CCCCCCCCCC/C=C(\C(F)(F)F)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane?
The InChIKey is YXCLNQODKFGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13(14,15)16;3*1-3-4-2;/h11H,2-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane?
tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane has a molecular weight of 525.37 g/mol, XLogP of 10.39, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane is sourced from PubChem (CID 134848075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).