tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate

C18H27FN2O2 — CID 19691421

IUPACtert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCF)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)23-17(22)21(12-10-19)16-9-11-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyLCOPPFVNEZGUNY-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate (PubChem CID 19691421) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate
PubChem CID19691421
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCF)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)23-17(22)21(12-10-19)16-9-11-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyLCOPPFVNEZGUNY-UHFFFAOYSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate?
The IUPAC name of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate (CID 19691421) is tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate is CC(C)(C)OC(=O)N(CCF)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate?
The InChIKey is LCOPPFVNEZGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-18(2,3)23-17(22)21(12-10-19)16-9-11-20(14-16)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate?
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate has a molecular weight of 322.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2-fluoroethyl)carbamate is sourced from PubChem (CID 19691421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).