2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide

C13H22F2N2O — CID 155627074

IUPAC2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-6-17(10)11(18)16-9-7-13(14,15)8-9/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyKSPQBKFLSGDNDP-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.00
Rot. Bonds1

About 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide

2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide (PubChem CID 155627074) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
PubChem CID155627074
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-6-17(10)11(18)16-9-7-13(14,15)8-9/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyKSPQBKFLSGDNDP-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.00
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-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide (CID 155627074) is 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide is CC(C)(C)C1CCCN1C(=O)NC1CC(F)(F)C1.
What is the InChIKey of 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide?
The InChIKey is KSPQBKFLSGDNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-12(2,3)10-5-4-6-17(10)11(18)16-9-7-13(14,15)8-9/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide?
2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide has a molecular weight of 260.33 g/mol, XLogP of 3.00, 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-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155627074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).