[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane

C13H10F17ISi — CID 46242823

IUPAC[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F17ISi/c1-32(2,3)5(31)4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4H,1-3H3/b5-4-
InChIKeyVFPUKPUZJQJPCH-PLNGDYQASA-N
MW644.18 g/mol
LogP8.19
Rot. Bonds8

About [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane

[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane (PubChem CID 46242823) has the molecular formula C13H10F17ISi and a molecular weight of 644.18 g/mol. Its IUPAC name is [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane
PubChem CID46242823
Molecular FormulaC13H10F17ISi
Molecular Weight644.18 g/mol
Exact Mass643.93
IUPAC Name[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F17ISi/c1-32(2,3)5(31)4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4H,1-3H3/b5-4-
InChIKeyVFPUKPUZJQJPCH-PLNGDYQASA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.18
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane
CID 54109893
Trimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluoro-1,16-diiodo-16-trimethylsilylhexadeca-1,15-dienyl)silane
CID 54440945
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane
CID 54484558
(3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane
CID 54530548
(3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-enyl)-trimethylsilane
CID 54551306
[(E)-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-enyl]-trimethylsilane
CID 88526906
[(Z)-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl]-trimethylsilane
CID 88526919
[(1E,9E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl]-trimethylsilane
CID 88674809
[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane
CID 88674830
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl)-trimethylsilane
CID 88674831
[(1E,11E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl]-trimethylsilane
CID 88674839
trimethyl-[(1E,15E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluoro-1,16-diiodo-16-trimethylsilylhexadeca-1,15-dienyl]silane
CID 88674847

Frequently Asked Questions

What is the IUPAC name of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane (CID 46242823) is [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane is C[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane?
The InChIKey is VFPUKPUZJQJPCH-PLNGDYQASA-N. The full InChI is InChI=1S/C13H10F17ISi/c1-32(2,3)5(31)4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4H,1-3H3/b5-4-.
What are the key properties of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane?
[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane has a molecular weight of 644.18 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododec-1-enyl]-trimethylsilane is sourced from PubChem (CID 46242823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).