2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C24H31F2NO3Si — CID 11124492

IUPAC2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC=C(F)F
InChIInChI=1S/C24H31F2NO3Si/c1-19(2)27(23(28)29-18-22(25)26)16-17-30-31(24(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
InChIKeyTWBIXXVJWYGYIF-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.15
Rot. Bonds8

About 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 11124492) has the molecular formula C24H31F2NO3Si and a molecular weight of 447.60 g/mol. Its IUPAC name is 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID11124492
Molecular FormulaC24H31F2NO3Si
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC=C(F)F
InChIInChI=1S/C24H31F2NO3Si/c1-19(2)27(23(28)29-18-22(25)26)16-17-30-31(24(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3
InChIKeyTWBIXXVJWYGYIF-UHFFFAOYSA-N
XLogP5.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006837
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-propan-2-ylcarbamic acid
CID 87582446
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl] N-tert-butyl-N-propan-2-ylcarbamate
CID 91071314
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278252
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide
CID 173124325
[2-[3-[Tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate
CID 174155718
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
[(E)-2-[dimethyl(phenyl)silyl]ethenyl] N,N-di(propan-2-yl)carbamate
CID 134959204
[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
CID 154720372

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 11124492) is 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is CC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC=C(F)F.
What is the InChIKey of 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is TWBIXXVJWYGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2NO3Si/c1-19(2)27(23(28)29-18-22(25)26)16-17-30-31(24(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3.
What are the key properties of 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 447.60 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 11124492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).