benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate

C20H32FNO3Si — CID 178035038

IUPACbenzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1(F)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H32FNO3Si/c1-16(25-26(5,6)19(2,3)4)20(21)12-13-22(15-20)18(23)24-14-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyLVPJEBARJIRSNC-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.15
Rot. Bonds5

About benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate

benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate (PubChem CID 178035038) has the molecular formula C20H32FNO3Si and a molecular weight of 381.56 g/mol. Its IUPAC name is benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate
PubChem CID178035038
Molecular FormulaC20H32FNO3Si
Molecular Weight381.56 g/mol
Exact Mass381.21
IUPAC Namebenzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1(F)CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H32FNO3Si/c1-16(25-26(5,6)19(2,3)4)20(21)12-13-22(15-20)18(23)24-14-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyLVPJEBARJIRSNC-UHFFFAOYSA-N
XLogP5.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
CID 67401396
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
3-tert-butyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 135241816
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
benzyl 3,3-difluoro-6-azaspiro[3.4]octane-6-carboxylate
CID 155144869
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate (CID 178035038) is benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate is CC(O[Si](C)(C)C(C)(C)C)C1(F)CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate?
The InChIKey is LVPJEBARJIRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO3Si/c1-16(25-26(5,6)19(2,3)4)20(21)12-13-22(15-20)18(23)24-14-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3.
What are the key properties of benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate?
benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate has a molecular weight of 381.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 178035038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).