(2,2-difluoro-1-triphenylsilylethenyl) benzoate

C27H20F2O2Si — CID 11339705

IUPAC(2,2-difluoro-1-triphenylsilylethenyl) benzoate
SMILESO=C(OC(=C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20F2O2Si/c28-25(29)27(31-26(30)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyUVZNNODDTUVNOW-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.66
Rot. Bonds6

About (2,2-difluoro-1-triphenylsilylethenyl) benzoate

(2,2-difluoro-1-triphenylsilylethenyl) benzoate (PubChem CID 11339705) has the molecular formula C27H20F2O2Si and a molecular weight of 442.54 g/mol. Its IUPAC name is (2,2-difluoro-1-triphenylsilylethenyl) benzoate.

Molecular Properties

Compound Name(2,2-difluoro-1-triphenylsilylethenyl) benzoate
PubChem CID11339705
Molecular FormulaC27H20F2O2Si
Molecular Weight442.54 g/mol
Exact Mass442.12
IUPAC Name(2,2-difluoro-1-triphenylsilylethenyl) benzoate
SMILESO=C(OC(=C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H20F2O2Si/c28-25(29)27(31-26(30)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyUVZNNODDTUVNOW-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentaerythrityl Tetrabenzoate
CID 20167
Stannane, benzoyloxytriphenyl-
CID 16684201
(3-(Benzoyloxy)propyl)triphenylphosphonium bromide
CID 24192948
4-Fluorobenzoic acid, anhydride
CID 579438
Triphenylmethyl benzoate
CID 621193
2-(Trimethylsilyl)ethyl 4-(diphenylphosphino)benzoate
CID 11258282
[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl] benzoate
CID 6383558
Triphenylsilyl benzoate
CID 12568332
Stannane, bis(benzoyloxy)diphenyl-
CID 16683523
[3-(Benzoyloxy)propyl]triphenylphosphonium
CID 494146
4-(Triphenylsilyl)benzoic acid
CID 224225
Triphenyltin 4-fluorobenzoate
CID 16712016

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-triphenylsilylethenyl) benzoate?
The IUPAC name of (2,2-difluoro-1-triphenylsilylethenyl) benzoate (CID 11339705) is (2,2-difluoro-1-triphenylsilylethenyl) benzoate.
What is the SMILES notation for (2,2-difluoro-1-triphenylsilylethenyl) benzoate?
The canonical SMILES for (2,2-difluoro-1-triphenylsilylethenyl) benzoate is O=C(OC(=C(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-difluoro-1-triphenylsilylethenyl) benzoate?
The InChIKey is UVZNNODDTUVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2O2Si/c28-25(29)27(31-26(30)21-13-5-1-6-14-21)32(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of (2,2-difluoro-1-triphenylsilylethenyl) benzoate?
(2,2-difluoro-1-triphenylsilylethenyl) benzoate has a molecular weight of 442.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-triphenylsilylethenyl) benzoate is sourced from PubChem (CID 11339705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).