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

C10H18F2N2O — CID 155627067

IUPAC2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NC(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7-5-4-6-14(7)9(15)13-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyMXDKUEWVXXFQMP-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.43
Rot. Bonds1

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

2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 155627067) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide
PubChem CID155627067
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)C1CCCN1C(=O)NC(F)F
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7-5-4-6-14(7)9(15)13-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKeyMXDKUEWVXXFQMP-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide (CID 155627067) is 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide is CC(C)(C)C1CCCN1C(=O)NC(F)F.
What is the InChIKey of 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is MXDKUEWVXXFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,3)7-5-4-6-14(7)9(15)13-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide?
2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 2.43, 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-(difluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155627067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).