2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C9H15F2NO2 — CID 107395949

IUPAC2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C9H15F2NO2/c1-9(14-2)4-3-5-12(6-9)8(13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyRZODEILOMGDRPF-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.28
Rot. Bonds2

About 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone

2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107395949) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107395949
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCOC1(C)CCCN(C(=O)C(F)F)C1
InChIInChI=1S/C9H15F2NO2/c1-9(14-2)4-3-5-12(6-9)8(13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyRZODEILOMGDRPF-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
CID 130590982
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107392341
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
4-amino-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107392361
5-chloro-1-(3-methoxy-3-methylpiperidin-1-yl)pentan-1-one
CID 107390996

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107395949) is 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is COC1(C)CCCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is RZODEILOMGDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(14-2)4-3-5-12(6-9)8(13)7(10)11/h7H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 207.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107395949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).