N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide

C9H16F2N2O — CID 122269282

IUPACN-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-8(2,3)12-7(14)13-5-4-9(10,11)6-13/h4-6H2,1-3H3,(H,12,14)
InChIKeySOJYPDLCIJIVEC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds

About N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide

N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 122269282) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID122269282
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-8(2,3)12-7(14)13-5-4-9(10,11)6-13/h4-6H2,1-3H3,(H,12,14)
InChIKeySOJYPDLCIJIVEC-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide (CID 122269282) is N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(F)(F)C1.
What is the InChIKey of N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is SOJYPDLCIJIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(2,3)12-7(14)13-5-4-9(10,11)6-13/h4-6H2,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide?
N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 122269282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).