2,2-difluoro-2-iodo-1-triphenylsilylethanone

C20H15F2IOSi — CID 86003450

IUPAC2,2-difluoro-2-iodo-1-triphenylsilylethanone
SMILESO=C(C(F)(F)I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F2IOSi/c21-20(22,23)19(24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeySWQKFBFRMGMLNJ-UHFFFAOYSA-N
MW464.33 g/mol
LogP3.29
Rot. Bonds5

About 2,2-difluoro-2-iodo-1-triphenylsilylethanone

2,2-difluoro-2-iodo-1-triphenylsilylethanone (PubChem CID 86003450) has the molecular formula C20H15F2IOSi and a molecular weight of 464.33 g/mol. Its IUPAC name is 2,2-difluoro-2-iodo-1-triphenylsilylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-iodo-1-triphenylsilylethanone
PubChem CID86003450
Molecular FormulaC20H15F2IOSi
Molecular Weight464.33 g/mol
Exact Mass463.99
IUPAC Name2,2-difluoro-2-iodo-1-triphenylsilylethanone
SMILESO=C(C(F)(F)I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F2IOSi/c21-20(22,23)19(24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeySWQKFBFRMGMLNJ-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Acetyltriphenylsilane
CID 5226386
Silane, triphenyl(trifluoroacetyl)-
CID 11024701
(2,2-Difluoro-1-methyl-vinyloxy)-triphenyl-silane
CID 11727896
Triphenyl(trifluoroethenyl)silane
CID 46245541
1,1-Difluorobuta-1,3-dien-2-yloxy(triphenyl)silane
CID 11046730
(2,2-Difluoro-1-trimethylsilylethenoxy)-triphenylsilane
CID 11464026
Triphenyl(3,3,3-trifluoropropyl)silane
CID 16752834
Triphenyl(3,3,3-trifluoroprop-1-yn-1-yl)silane
CID 71442915
(2,2-Difluoro-1-trimethylsilyloxyethenyl)-triphenylsilane
CID 85978761
2,2-Difluoro-1-triphenylsilylethanone
CID 86003413
2-Fluoro-1-triphenylsilylethanone
CID 86003433
(z)-(Perfluoropropenyl)triphenylsilane
CID 129859261

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-iodo-1-triphenylsilylethanone?
The IUPAC name of 2,2-difluoro-2-iodo-1-triphenylsilylethanone (CID 86003450) is 2,2-difluoro-2-iodo-1-triphenylsilylethanone.
What is the SMILES notation for 2,2-difluoro-2-iodo-1-triphenylsilylethanone?
The canonical SMILES for 2,2-difluoro-2-iodo-1-triphenylsilylethanone is O=C(C(F)(F)I)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-iodo-1-triphenylsilylethanone?
The InChIKey is SWQKFBFRMGMLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2IOSi/c21-20(22,23)19(24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,2-difluoro-2-iodo-1-triphenylsilylethanone?
2,2-difluoro-2-iodo-1-triphenylsilylethanone has a molecular weight of 464.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-iodo-1-triphenylsilylethanone is sourced from PubChem (CID 86003450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).