2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate

C19H29F2NO4Si — CID 140886495

IUPAC2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
SMILESCOCC[C@@H]1C[C@@H](NC(=O)OCC[Si](C)(C)C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C19H29F2NO4Si/c1-24-8-7-14-12-17(22-19(23)25-9-10-27(2,3)4)18(26-14)13-5-6-15(20)16(21)11-13/h5-6,11,14,17-18H,7-10,12H2,1-4H3,(H,22,23)/t14-,17-,18+/m1/s1
InChIKeyPWUQSFOPCQMVLI-OLMNPRSZSA-N
MW401.53 g/mol
LogP4.26
Rot. Bonds8

About 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate

2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate (PubChem CID 140886495) has the molecular formula C19H29F2NO4Si and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
PubChem CID140886495
Molecular FormulaC19H29F2NO4Si
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
SMILESCOCC[C@@H]1C[C@@H](NC(=O)OCC[Si](C)(C)C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C19H29F2NO4Si/c1-24-8-7-14-12-17(22-19(23)25-9-10-27(2,3)4)18(26-14)13-5-6-15(20)16(21)11-13/h5-6,11,14,17-18H,7-10,12H2,1-4H3,(H,22,23)/t14-,17-,18+/m1/s1
InChIKeyPWUQSFOPCQMVLI-OLMNPRSZSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate (CID 140886495) is 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate is COCC[C@@H]1C[C@@H](NC(=O)OCC[Si](C)(C)C)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate?
The InChIKey is PWUQSFOPCQMVLI-OLMNPRSZSA-N. The full InChI is InChI=1S/C19H29F2NO4Si/c1-24-8-7-14-12-17(22-19(23)25-9-10-27(2,3)4)18(26-14)13-5-6-15(20)16(21)11-13/h5-6,11,14,17-18H,7-10,12H2,1-4H3,(H,22,23)/t14-,17-,18+/m1/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate?
2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate has a molecular weight of 401.53 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate is sourced from PubChem (CID 140886495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).