2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide

C11H21FN2O — CID 155627096

IUPAC2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NCCF
InChIInChI=1S/C11H21FN2O/c1-11(2,3)9-5-4-8-14(9)10(15)13-7-6-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyWLDISUZZRSHDDC-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.18
Rot. Bonds2

About 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide

2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 155627096) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
PubChem CID155627096
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NCCF
InChIInChI=1S/C11H21FN2O/c1-11(2,3)9-5-4-8-14(9)10(15)13-7-6-12/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyWLDISUZZRSHDDC-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide (CID 155627096) is 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide is CC(C)(C)C1CCCN1C(=O)NCCF.
What is the InChIKey of 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is WLDISUZZRSHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-11(2,3)9-5-4-8-14(9)10(15)13-7-6-12/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide?
2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 216.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155627096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).