1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone

C12H21FN2O — CID 163300856

IUPAC1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCC(C)(F)C2)C1
InChIInChI=1S/C12H21FN2O/c1-10(16)15-7-11(8-15)3-5-14-6-4-12(2,13)9-14/h11H,3-9H2,1-2H3
InChIKeyJXKSQUIQVKNXGQ-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.29
Rot. Bonds3

About 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone

1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone (PubChem CID 163300856) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone
PubChem CID163300856
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCC(C)(F)C2)C1
InChIInChI=1S/C12H21FN2O/c1-10(16)15-7-11(8-15)3-5-14-6-4-12(2,13)9-14/h11H,3-9H2,1-2H3
InChIKeyJXKSQUIQVKNXGQ-UHFFFAOYSA-N
XLogP1.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
CID 127002189
5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid
CID 175824284
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595
1-[3-(2-methoxyethyl)azetidin-1-yl]ethanone
CID 166687809
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone (CID 163300856) is 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone is CC(=O)N1CC(CCN2CCC(C)(F)C2)C1.
What is the InChIKey of 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone?
The InChIKey is JXKSQUIQVKNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-10(16)15-7-11(8-15)3-5-14-6-4-12(2,13)9-14/h11H,3-9H2,1-2H3.
What are the key properties of 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone?
1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone has a molecular weight of 228.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 163300856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).