(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone

C12H20F2N2O — CID 155201081

IUPAC(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCC(C)(C)C1CCCN1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c1-11(2,3)9-5-4-6-16(9)10(17)15-7-12(13,14)8-15/h9H,4-8H2,1-3H3
InChIKeyMAWISETXTSNZJP-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.57
Rot. Bonds

About (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone

(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 155201081) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID155201081
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCC(C)(C)C1CCCN1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c1-11(2,3)9-5-4-6-16(9)10(17)15-7-12(13,14)8-15/h9H,4-8H2,1-3H3
InChIKeyMAWISETXTSNZJP-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 118303179
2-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155201045
2-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155201076
(2-Tert-butylpyrrolidin-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155201082
2-tert-butyl-N-(difluoromethyl)pyrrolidine-1-carboxamide
CID 155627067
2-tert-butyl-N-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxamide
CID 155627074
(3,3-Difluoroazetidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 163829548
5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone
CID 170193615
(2,3-Dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
CID 170766718
(2,4-Dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
CID 170767344
N-ethyl-N-propan-2-yl-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 91648321
Azetidin-1-yl-(2-ethyl-3-methylpyrrolidin-1-yl)methanone
CID 137477244

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone (CID 155201081) is (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone is CC(C)(C)C1CCCN1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is MAWISETXTSNZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-11(2,3)9-5-4-6-16(9)10(17)15-7-12(13,14)8-15/h9H,4-8H2,1-3H3.
What are the key properties of (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone?
(2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 246.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrrolidin-1-yl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 155201081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).