[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate

C13H24F6N2O5Si — CID 140787363

IUPAC[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCC(F)(F)C(F)(F)N(F)F)(OCC)OCC
InChIInChI=1S/C13H24F6N2O5Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-20-11(22)23-10-12(14,15)13(16,17)21(18)19/h4-10H2,1-3H3,(H,20,22)
InChIKeyLMCYOIIJKRYJGA-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.45
Rot. Bonds14

About [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate

[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 140787363) has the molecular formula C13H24F6N2O5Si and a molecular weight of 430.42 g/mol. Its IUPAC name is [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID140787363
Molecular FormulaC13H24F6N2O5Si
Molecular Weight430.42 g/mol
Exact Mass430.14
IUPAC Name[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCC(F)(F)C(F)(F)N(F)F)(OCC)OCC
InChIInChI=1S/C13H24F6N2O5Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-20-11(22)23-10-12(14,15)13(16,17)21(18)19/h4-10H2,1-3H3,(H,20,22)
InChIKeyLMCYOIIJKRYJGA-UHFFFAOYSA-N
XLogP3.45
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
[12-[[3-[difluoro-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-(3-triethoxysilylpropylcarbamoyloxy)dodecoxy]methyl]-1,1,5,5,7,7,11,11-octafluoro-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-difluoromethoxy]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecyl] N-(3-triethoxysilylpropyl)carbamate
CID 59628142
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
2,2,3,3,4,4,4-heptafluorobutyl N-butylcarbamate
CID 88880024
CID 102321543
CID 102321543

Frequently Asked Questions

What is the IUPAC name of [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate (CID 140787363) is [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCC(F)(F)C(F)(F)N(F)F)(OCC)OCC.
What is the InChIKey of [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is LMCYOIIJKRYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F6N2O5Si/c1-4-24-27(25-5-2,26-6-3)9-7-8-20-11(22)23-10-12(14,15)13(16,17)21(18)19/h4-10H2,1-3H3,(H,20,22).
What are the key properties of [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate?
[3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 430.42 g/mol, XLogP of 3.45, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoroamino)-2,2,3,3-tetrafluoropropyl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 140787363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).