dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane

C18H27F5Sn — CID 53440191

IUPACdibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane
SMILESCCCC[Sn](CCCC)(c1ccccc1)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C6H5.C4H4F5.2C4H9.Sn/c1-2-4-6-5-3-1;5-3(6)1-2-4(7,8)9;2*1-3-4-2;/h1-5H;1-2H2;2*1,3-4H2,2H3;
InChIKeyPKMFSZCDJPXNAP-UHFFFAOYSA-N
MW457.12 g/mol
LogP6.46
Rot. Bonds10

About dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane

dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane (PubChem CID 53440191) has the molecular formula C18H27F5Sn and a molecular weight of 457.12 g/mol. Its IUPAC name is dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane.

Molecular Properties

Compound Namedibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane
PubChem CID53440191
Molecular FormulaC18H27F5Sn
Molecular Weight457.12 g/mol
Exact Mass458.11
IUPAC Namedibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane
SMILESCCCC[Sn](CCCC)(c1ccccc1)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C6H5.C4H4F5.2C4H9.Sn/c1-2-4-6-5-3-1;5-3(6)1-2-4(7,8)9;2*1-3-4-2;/h1-5H;1-2H2;2*1,3-4H2,2H3;
InChIKeyPKMFSZCDJPXNAP-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.12
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane?
The IUPAC name of dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane (CID 53440191) is dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane.
What is the SMILES notation for dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane?
The canonical SMILES for dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane is CCCC[Sn](CCCC)(c1ccccc1)C(F)(F)CCC(F)(F)F.
What is the InChIKey of dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane?
The InChIKey is PKMFSZCDJPXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H4F5.2C4H9.Sn/c1-2-4-6-5-3-1;5-3(6)1-2-4(7,8)9;2*1-3-4-2;/h1-5H;1-2H2;2*1,3-4H2,2H3;.
What are the key properties of dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane?
dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane has a molecular weight of 457.12 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane is sourced from PubChem (CID 53440191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).