1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

C12H20F2N2O2 — CID 70869239

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(F)(F)C2)CCO1
InChIInChI=1S/C12H20F2N2O2/c1-11(2)8-15(5-6-18-11)7-10(17)16-4-3-12(13,14)9-16/h3-9H2,1-2H3
InChIKeyNKVSGNRPSHVNPB-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.96
Rot. Bonds2

About 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (PubChem CID 70869239) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
PubChem CID70869239
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(F)(F)C2)CCO1
InChIInChI=1S/C12H20F2N2O2/c1-11(2)8-15(5-6-18-11)7-10(17)16-4-3-12(13,14)9-16/h3-9H2,1-2H3
InChIKeyNKVSGNRPSHVNPB-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53529972
1-[4-(2-Ethoxyethyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 53579809
2-[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56791956
1-(2,6-Dimethylmorpholin-4-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 72017177
1-[(2S)-2-methylmorpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 95156154
(3-Hydroxy-3-methylpyrrolidin-1-yl)-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
CID 136541186
1-(3,3-Difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 70869827
1-(4,4-Difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 70906987
2-[(2-Methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
1-(2-Morpholin-4-yl-2-oxoethyl)-3-(trifluoromethyl)pyrrolidin-2-one
CID 135305976
3-(2,6-Dimethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53622799
3-(2-Ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56786015

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (CID 70869239) is 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is CC1(C)CN(CC(=O)N2CCC(F)(F)C2)CCO1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The InChIKey is NKVSGNRPSHVNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-11(2)8-15(5-6-18-11)7-10(17)16-4-3-12(13,14)9-16/h3-9H2,1-2H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone has a molecular weight of 262.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 70869239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).