2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate

C9H15FN2O3 — CID 121420156

IUPAC2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate
SMILESO=C(NCC(=O)N1CCCC1)OCCF
InChIInChI=1S/C9H15FN2O3/c10-3-6-15-9(14)11-7-8(13)12-4-1-2-5-12/h1-7H2,(H,11,14)
InChIKeySDDSIYJDDVRYEP-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.30
Rot. Bonds4

About 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate

2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate (PubChem CID 121420156) has the molecular formula C9H15FN2O3 and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate
PubChem CID121420156
Molecular FormulaC9H15FN2O3
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate
SMILESO=C(NCC(=O)N1CCCC1)OCCF
InChIInChI=1S/C9H15FN2O3/c10-3-6-15-9(14)11-7-8(13)12-4-1-2-5-12/h1-7H2,(H,11,14)
InChIKeySDDSIYJDDVRYEP-UHFFFAOYSA-N
XLogP0.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate?
The IUPAC name of 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate (CID 121420156) is 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate is O=C(NCC(=O)N1CCCC1)OCCF.
What is the InChIKey of 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate?
The InChIKey is SDDSIYJDDVRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O3/c10-3-6-15-9(14)11-7-8(13)12-4-1-2-5-12/h1-7H2,(H,11,14).
What are the key properties of 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate?
2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate has a molecular weight of 218.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate is sourced from PubChem (CID 121420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).