1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane

C22H18F2OSi — CID 11046730

IUPAC1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane
SMILESC=CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(F)F
InChIInChI=1S/C22H18F2OSi/c1-2-21(22(23)24)25-26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyIZZYKVVDNXZBNO-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.96
Rot. Bonds6

About 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane

1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane (PubChem CID 11046730) has the molecular formula C22H18F2OSi and a molecular weight of 364.47 g/mol. Its IUPAC name is 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane.

Molecular Properties

Compound Name1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane
PubChem CID11046730
Molecular FormulaC22H18F2OSi
Molecular Weight364.47 g/mol
Exact Mass364.11
IUPAC Name1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane
SMILESC=CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(F)F
InChIInChI=1S/C22H18F2OSi/c1-2-21(22(23)24)25-26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2
InChIKeyIZZYKVVDNXZBNO-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Triphenylsilanol
CID 69925
Benzene, 1,1',1''-(fluorosilylidyne)tris-
CID 67837
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Acetyltriphenylsilane
CID 5226386
(Allyloxy)triphenylsilane
CID 4093340
Silane, [[2,2-difluoro-1-(triphenylsilyl)ethenyl]oxy]triphenyl-
CID 11284824
triphenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]silane
CID 11268714
Silane, triphenyl(trifluoroacetyl)-
CID 11024701
(tert-Butylperoxy)(triphenyl)silane
CID 15606852
Lithium triphenylsilanolate
CID 23661814
Sodium triphenylsilanolate
CID 23693138

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane?
The IUPAC name of 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane (CID 11046730) is 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane.
What is the SMILES notation for 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane?
The canonical SMILES for 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane is C=CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(F)F.
What is the InChIKey of 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane?
The InChIKey is IZZYKVVDNXZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2OSi/c1-2-21(22(23)24)25-26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2.
What are the key properties of 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane?
1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane has a molecular weight of 364.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobuta-1,3-dien-2-yloxy(triphenyl)silane is sourced from PubChem (CID 11046730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).