(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide

C10H18F2N2O — CID 155627087

IUPAC(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C10H18F2N2O/c1-9(2,3)14-6-10(11,12)5-7(14)8(15)13-4/h7H,5-6H2,1-4H3,(H,13,15)/t7-/m1/s1
InChIKeyUQDPMJURIYLBCT-SSDOTTSWSA-N
MW220.26 g/mol
LogP1.24
Rot. Bonds1

About (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide

(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide (PubChem CID 155627087) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
PubChem CID155627087
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C10H18F2N2O/c1-9(2,3)14-6-10(11,12)5-7(14)8(15)13-4/h7H,5-6H2,1-4H3,(H,13,15)/t7-/m1/s1
InChIKeyUQDPMJURIYLBCT-SSDOTTSWSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butyl-2-ethynyl-4,4-difluoropyrrolidine
CID 157285289
(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide
CID 175857422
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 155624492
1-(1-acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
2-acetyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 174189890
1-[(3S,6S)-5-tert-butyl-2-propan-2-yl-5-azaspiro[2.4]heptan-6-yl]-2,2-dimethylpropan-1-one
CID 59551517
[(2R)-4,4-difluoro-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid
CID 140740932
(2S)-1-tert-butyl-4,4-difluoro-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine
CID 159630663
1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methylazetidine-2-carboxamide
CID 102295515
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(2S)-4,4-difluoro-1-iodopyrrolidine-2-carboxylic acid
CID 146299858

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide (CID 155627087) is (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@H]1CC(F)(F)CN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UQDPMJURIYLBCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-9(2,3)14-6-10(11,12)5-7(14)8(15)13-4/h7H,5-6H2,1-4H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide?
(2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-4,4-difluoro-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155627087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).