N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide

C8H15FN2O — CID 126976149

IUPACN-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCF)CCCN1
InChIInChI=1S/C8H15FN2O/c1-8(3-2-5-11-8)7(12)10-6-4-9/h11H,2-6H2,1H3,(H,10,12)
InChIKeyWSTHMCULFWJYCY-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.21
Rot. Bonds3

About N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide

N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 126976149) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID126976149
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC NameN-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCF)CCCN1
InChIInChI=1S/C8H15FN2O/c1-8(3-2-5-11-8)7(12)10-6-4-9/h11H,2-6H2,1H3,(H,10,12)
InChIKeyWSTHMCULFWJYCY-UHFFFAOYSA-N
XLogP0.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide (CID 126976149) is N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCCF)CCCN1.
What is the InChIKey of N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is WSTHMCULFWJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-8(3-2-5-11-8)7(12)10-6-4-9/h11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide?
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126976149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).