2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone

C10H15F2NO — CID 164651256

IUPAC2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)CC2CC2(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-13-3-2-7(6-13)9(14)4-8-5-10(8,11)12/h7-8H,2-6H2,1H3
InChIKeyAVHNOIKIXXGMCB-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.55
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone

2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone (PubChem CID 164651256) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
PubChem CID164651256
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone
SMILESCN1CCC(C(=O)CC2CC2(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-13-3-2-7(6-13)9(14)4-8-5-10(8,11)12/h7-8H,2-6H2,1H3
InChIKeyAVHNOIKIXXGMCB-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(1-methylpyrrolidin-3-yl)propan-2-one
CID 58049271
1,1,1-trifluoro-3-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 59085041
1-[(3R,4R)-4-acetyl-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone
CID 59800149
1-[(3S,4S)-4-acetyl-1-(2,2-difluoroethyl)pyrrolidin-3-yl]ethanone
CID 59800171
1-(1,4-Dimethylpyrrolidin-3-yl)-2,2,2-trifluoroethanone
CID 141825213
1-[1-Methyl-4-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 171516541
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
1,1,1-Trifluoro-3-[1-(3-methylbutyl)pyrrolidin-3-yl]propan-2-one
CID 21355222
1,1-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-2-one
CID 105436779
3,3-Difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 105444839
2-Cyclopropyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572946

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone (CID 164651256) is 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone is CN1CCC(C(=O)CC2CC2(F)F)C1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is AVHNOIKIXXGMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-13-3-2-7(6-13)9(14)4-8-5-10(8,11)12/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone?
2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 203.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1-(1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 164651256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).