(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane

C8H10F7ISi — CID 54109893

IUPAC(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C(=CI)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7ISi/c1-17(2,3)5(4-16)6(9,10)7(11,12)8(13,14)15/h4H,1-3H3
InChIKeyNGIWAJKSZKYNMC-UHFFFAOYSA-N
MW394.14 g/mol
LogP5.02
Rot. Bonds3

About (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane

(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane (PubChem CID 54109893) has the molecular formula C8H10F7ISi and a molecular weight of 394.14 g/mol. Its IUPAC name is (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane
PubChem CID54109893
Molecular FormulaC8H10F7ISi
Molecular Weight394.14 g/mol
Exact Mass393.95
IUPAC Name(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C(=CI)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7ISi/c1-17(2,3)5(4-16)6(9,10)7(11,12)8(13,14)15/h4H,1-3H3
InChIKeyNGIWAJKSZKYNMC-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.14
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane?
The IUPAC name of (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane (CID 54109893) is (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane.
What is the SMILES notation for (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane?
The canonical SMILES for (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane is C[Si](C)(C)C(=CI)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane?
The InChIKey is NGIWAJKSZKYNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7ISi/c1-17(2,3)5(4-16)6(9,10)7(11,12)8(13,14)15/h4H,1-3H3.
What are the key properties of (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane?
(3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane has a molecular weight of 394.14 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-en-2-yl)-trimethylsilane is sourced from PubChem (CID 54109893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).