dibutyl-bis(3,3,3-trifluoropropyl)stannane

C14H26F6Sn — CID 154327480

IUPACdibutyl-bis(3,3,3-trifluoropropyl)stannane
SMILESCCCC[Sn](CCCC)(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/2C4H9.2C3H4F3.Sn/c2*1-3-4-2;2*1-2-3(4,5)6;/h2*1,3-4H2,2H3;2*1-2H2;
InChIKeyAQNDORNNUQNCAH-UHFFFAOYSA-N
MW427.06 g/mol
LogP6.94
Rot. Bonds10

About dibutyl-bis(3,3,3-trifluoropropyl)stannane

dibutyl-bis(3,3,3-trifluoropropyl)stannane (PubChem CID 154327480) has the molecular formula C14H26F6Sn and a molecular weight of 427.06 g/mol. Its IUPAC name is dibutyl-bis(3,3,3-trifluoropropyl)stannane.

Molecular Properties

Compound Namedibutyl-bis(3,3,3-trifluoropropyl)stannane
PubChem CID154327480
Molecular FormulaC14H26F6Sn
Molecular Weight427.06 g/mol
Exact Mass428.10
IUPAC Namedibutyl-bis(3,3,3-trifluoropropyl)stannane
SMILESCCCC[Sn](CCCC)(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/2C4H9.2C3H4F3.Sn/c2*1-3-4-2;2*1-2-3(4,5)6;/h2*1,3-4H2,2H3;2*1-2H2;
InChIKeyAQNDORNNUQNCAH-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.06
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
tributyl(hexadecyl)stannane
CID 174658060
iron(3+);1,1,1-trifluoropentane
CID 161198772
1,1,1-trifluorohexadecane
CID 15685316
butyl(trioctyl)stannane;hydrochloride
CID 175572560
diheptyl(dioctyl)stannane
CID 152736724
3-tributylstannylpropane-1-thiol
CID 21115527
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
tributyl(pent-4-enyl)stannane
CID 86003021
5,5-difluorononane
CID 21410163

Frequently Asked Questions

What is the IUPAC name of dibutyl-bis(3,3,3-trifluoropropyl)stannane?
The IUPAC name of dibutyl-bis(3,3,3-trifluoropropyl)stannane (CID 154327480) is dibutyl-bis(3,3,3-trifluoropropyl)stannane.
What is the SMILES notation for dibutyl-bis(3,3,3-trifluoropropyl)stannane?
The canonical SMILES for dibutyl-bis(3,3,3-trifluoropropyl)stannane is CCCC[Sn](CCCC)(CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of dibutyl-bis(3,3,3-trifluoropropyl)stannane?
The InChIKey is AQNDORNNUQNCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2C3H4F3.Sn/c2*1-3-4-2;2*1-2-3(4,5)6;/h2*1,3-4H2,2H3;2*1-2H2;.
What are the key properties of dibutyl-bis(3,3,3-trifluoropropyl)stannane?
dibutyl-bis(3,3,3-trifluoropropyl)stannane has a molecular weight of 427.06 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-bis(3,3,3-trifluoropropyl)stannane is sourced from PubChem (CID 154327480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).