2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

C12H21FN2O3 — CID 167481755

IUPAC2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCCF)CC1(C)C
InChIInChI=1S/C12H21FN2O3/c1-9-7-15(8-12(9,2)3)10(16)6-14-11(17)18-5-4-13/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyHUGDSIGISJWLEG-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.19
Rot. Bonds4

About 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 167481755) has the molecular formula C12H21FN2O3 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID167481755
Molecular FormulaC12H21FN2O3
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCCF)CC1(C)C
InChIInChI=1S/C12H21FN2O3/c1-9-7-15(8-12(9,2)3)10(16)6-14-11(17)18-5-4-13/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyHUGDSIGISJWLEG-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-tert-Butyl 2-(3-fluoropyrrolidin-1-yl)-2-oxoethylcarbamate
CID 86650707
2-fluoroethyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate
CID 121420156
tert-butyl N-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 123309081
2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166123893
formamide;2-methylpropane;1,1,1-trifluoropropan-2-yl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
CID 167481041
methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 172626018
ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 172626098
methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
CID 172626112
ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
CID 172626113
acetylene;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
CID 172626140
acetylene;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;propane
CID 172626142
ethane;methyl N-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]carbamate;2-methylpropane
CID 172626145

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (CID 167481755) is 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is CC1CN(C(=O)CNC(=O)OCCF)CC1(C)C.
What is the InChIKey of 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is HUGDSIGISJWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O3/c1-9-7-15(8-12(9,2)3)10(16)6-14-11(17)18-5-4-13/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
2-fluoroethyl N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 260.31 g/mol, XLogP of 1.19, 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-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 167481755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).