(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane

C14H20F2OSSi — CID 10662155

IUPAC(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane
SMILESCC[Si](CC)(CC)OC(Sc1ccccc1)=C(F)F
InChIInChI=1S/C14H20F2OSSi/c1-4-19(5-2,6-3)17-14(13(15)16)18-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyCHORAYXIFDNEOL-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.87
Rot. Bonds7

About (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane

(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane (PubChem CID 10662155) has the molecular formula C14H20F2OSSi and a molecular weight of 302.46 g/mol. Its IUPAC name is (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane.

Molecular Properties

Compound Name(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane
PubChem CID10662155
Molecular FormulaC14H20F2OSSi
Molecular Weight302.46 g/mol
Exact Mass302.10
IUPAC Name(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane
SMILESCC[Si](CC)(CC)OC(Sc1ccccc1)=C(F)F
InChIInChI=1S/C14H20F2OSSi/c1-4-19(5-2,6-3)17-14(13(15)16)18-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyCHORAYXIFDNEOL-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.87
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'}

Analyze (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, trimethyl((phenylthio)methyl)-
CID 140295
(1-Difluoromethylene-hexylsulfanyl)-benzene
CID 12586997
[Difluoro(phenylsulfonyl)methyl]trimethyl-silane
CID 10989156
(Difluoro(phenylthio)methyl)trimethylsilane
CID 11075297
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
N-(tert-Butyldimethylsilyl)-S-phenyl-S-difluoromethylsulfoximine
CID 78080453
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Silane, trimethyl[1-(phenylthio)ethenyl]-
CID 11138323
[(E)-4-ethoxy-5,5,5-trifluoro-3-phenylsulfanylpent-3-en-1-ynyl]-trimethylsilane
CID 10783669
(3,3-Difluoro-3-(phenylsulfonyl)propyl)trimethylsilane
CID 16744214

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane?
The IUPAC name of (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane (CID 10662155) is (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane.
What is the SMILES notation for (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane?
The canonical SMILES for (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane is CC[Si](CC)(CC)OC(Sc1ccccc1)=C(F)F.
What is the InChIKey of (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane?
The InChIKey is CHORAYXIFDNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2OSSi/c1-4-19(5-2,6-3)17-14(13(15)16)18-12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane?
(2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane has a molecular weight of 302.46 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenylsulfanylethenoxy)-triethylsilane is sourced from PubChem (CID 10662155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).