2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C11H19F3N2O — CID 155201045

IUPAC2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2,3)8-5-4-6-16(8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyTXMRFLNGJWEHEE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.77
Rot. Bonds1

About 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 155201045) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID155201045
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2,3)8-5-4-6-16(8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyTXMRFLNGJWEHEE-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.77
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-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 155201045) is 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC(C)(C)C1CCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is TXMRFLNGJWEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2,3)8-5-4-6-16(8)9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155201045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).