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

C8H13F2NO2 — CID 130590982

IUPAC2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCOC1(C)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-8(13-2)3-4-11(5-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyCNFVUGIJQJJXSD-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds2

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

2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 130590982) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
PubChem CID130590982
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCOC1(C)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-8(13-2)3-4-11(5-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyCNFVUGIJQJJXSD-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395949
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
CID 131084206
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
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
cyclopropyl-(4-methoxy-4-methylpiperidin-1-yl)methanone;ethane
CID 164564342
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 130681789

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone (CID 130590982) is 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone is COC1(C)CCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is CNFVUGIJQJJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(13-2)3-4-11(5-8)7(12)6(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone?
2,2-difluoro-1-(3-methoxy-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.89, 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-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 130590982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).