[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane

C13H24FISi — CID 11360192

IUPAC[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
SMILESC=C(/C(I)=C\F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24FISi/c1-9(2)16(10(3)4,11(5)6)12(7)13(15)8-14/h8-11H,7H2,1-6H3/b13-8+
InChIKeyVTQRCABWIMMOAR-MDWZMJQESA-N
MW354.32 g/mol
LogP6.01
Rot. Bonds5

About [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane

[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane (PubChem CID 11360192) has the molecular formula C13H24FISi and a molecular weight of 354.32 g/mol. Its IUPAC name is [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
PubChem CID11360192
Molecular FormulaC13H24FISi
Molecular Weight354.32 g/mol
Exact Mass354.07
IUPAC Name[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
SMILESC=C(/C(I)=C\F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24FISi/c1-9(2)16(10(3)4,11(5)6)12(7)13(15)8-14/h8-11H,7H2,1-6H3/b13-8+
InChIKeyVTQRCABWIMMOAR-MDWZMJQESA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 56.01
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane (CID 11360192) is [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane is C=C(/C(I)=C\F)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The InChIKey is VTQRCABWIMMOAR-MDWZMJQESA-N. The full InChI is InChI=1S/C13H24FISi/c1-9(2)16(10(3)4,11(5)6)12(7)13(15)8-14/h8-11H,7H2,1-6H3/b13-8+.
What are the key properties of [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
[(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane has a molecular weight of 354.32 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-fluoro-3-iodobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11360192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).