[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane

C24H21F27Sn — CID 139594255

IUPAC[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(=CC([SnH])CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H20F27.Sn.H/c25-13(26,16(31,32)19(37,38)22(43,44)45)9-3-1-2-6-12(7-4-10-14(27,28)17(33,34)20(39,40)23(46,47)48)8-5-11-15(29,30)18(35,36)21(41,42)24(49,50)51;;/h2,6H,1,3-5,7-11H2;;
InChIKeyAWXKBZBNZBUKHW-UHFFFAOYSA-N
MW941.09 g/mol
LogP12.52
Rot. Bonds19

About [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane

[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane (PubChem CID 139594255) has the molecular formula C24H21F27Sn and a molecular weight of 941.09 g/mol. Its IUPAC name is [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane.

Molecular Properties

Compound Name[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane
PubChem CID139594255
Molecular FormulaC24H21F27Sn
Molecular Weight941.09 g/mol
Exact Mass942.02
IUPAC Name[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(=CC([SnH])CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H20F27.Sn.H/c25-13(26,16(31,32)19(37,38)22(43,44)45)9-3-1-2-6-12(7-4-10-14(27,28)17(33,34)20(39,40)23(46,47)48)8-5-11-15(29,30)18(35,36)21(41,42)24(49,50)51;;/h2,6H,1,3-5,7-11H2;;
InChIKeyAWXKBZBNZBUKHW-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.09
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane?
The IUPAC name of [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane (CID 139594255) is [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane.
What is the SMILES notation for [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane?
The canonical SMILES for [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(=CC([SnH])CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane?
The InChIKey is AWXKBZBNZBUKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F27.Sn.H/c25-13(26,16(31,32)19(37,38)22(43,44)45)9-3-1-2-6-12(7-4-10-14(27,28)17(33,34)20(39,40)23(46,47)48)8-5-11-15(29,30)18(35,36)21(41,42)24(49,50)51;;/h2,6H,1,3-5,7-11H2;;.
What are the key properties of [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane?
[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane has a molecular weight of 941.09 g/mol, XLogP of 12.52, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-λ2-stannane is sourced from PubChem (CID 139594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).