2,2-difluoro-1-triphenylsilylethanone

C20H16F2OSi — CID 86003413

IUPAC2,2-difluoro-1-triphenylsilylethanone
SMILESO=C(C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F2OSi/c21-19(22)20(23)24(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyMYSVEFPVQXCKRI-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.53
Rot. Bonds5

About 2,2-difluoro-1-triphenylsilylethanone

2,2-difluoro-1-triphenylsilylethanone (PubChem CID 86003413) has the molecular formula C20H16F2OSi and a molecular weight of 338.43 g/mol. Its IUPAC name is 2,2-difluoro-1-triphenylsilylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-triphenylsilylethanone
PubChem CID86003413
Molecular FormulaC20H16F2OSi
Molecular Weight338.43 g/mol
Exact Mass338.09
IUPAC Name2,2-difluoro-1-triphenylsilylethanone
SMILESO=C(C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F2OSi/c21-19(22)20(23)24(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyMYSVEFPVQXCKRI-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
Vinyltriphenylsilane
CID 87747
Triphenylsilane
CID 69922
Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Triphenylsilanethiol
CID 621128
Allyltriphenylsilane
CID 278642
Acetyltriphenylsilane
CID 5226386
(Allyloxy)triphenylsilane
CID 4093340
Phenyltris(3-fluorophenyl)silane
CID 4306742
Silane, [[2,2-difluoro-1-(triphenylsilyl)ethenyl]oxy]triphenyl-
CID 11284824

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-triphenylsilylethanone?
The IUPAC name of 2,2-difluoro-1-triphenylsilylethanone (CID 86003413) is 2,2-difluoro-1-triphenylsilylethanone.
What is the SMILES notation for 2,2-difluoro-1-triphenylsilylethanone?
The canonical SMILES for 2,2-difluoro-1-triphenylsilylethanone is O=C(C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-triphenylsilylethanone?
The InChIKey is MYSVEFPVQXCKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2OSi/c21-19(22)20(23)24(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of 2,2-difluoro-1-triphenylsilylethanone?
2,2-difluoro-1-triphenylsilylethanone has a molecular weight of 338.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-triphenylsilylethanone is sourced from PubChem (CID 86003413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).