2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone

C11H17F2NO — CID 164649357

IUPAC2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)CC2(C)CC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-10(7-11(10,12)13)5-9(15)8-3-4-14(2)6-8/h8H,3-7H2,1-2H3
InChIKeyYCHMPGUJMVSKBZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.94
Rot. Bonds3

About 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone

2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 164649357) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID164649357
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)CC2(C)CC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-10(7-11(10,12)13)5-9(15)8-3-4-14(2)6-8/h8H,3-7H2,1-2H3
InChIKeyYCHMPGUJMVSKBZ-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one
CID 171725637
1-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]propan-1-one
CID 175309019
2,2-Dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one
CID 176833179
5,5,5-Trifluoro-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one
CID 106982199
2-Methyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]pentan-1-one
CID 107890030
3,5-Dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]hexan-1-one
CID 114201585
2,2-Dimethyl-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 114272074
5,5,5-Trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one
CID 116570055
1-(3-Ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one
CID 116570361
5,5,5-Trifluoro-1-(3-propylpyrrolidin-3-yl)pentan-1-one
CID 116570643
4-Methyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]pentan-1-one
CID 116572740
4,4-Dimethyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]pentan-1-one
CID 116572750

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone (CID 164649357) is 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(C(=O)CC2(C)CC2(F)F)C1.
What is the InChIKey of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is YCHMPGUJMVSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-10(7-11(10,12)13)5-9(15)8-3-4-14(2)6-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 217.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-methylcyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 164649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).