1-[3-(fluoromethyl)azetidin-1-yl]ethanone

C6H10FNO — CID 121188787

IUPAC1-[3-(fluoromethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CF)C1
InChIInChI=1S/C6H10FNO/c1-5(9)8-3-6(2-7)4-8/h6H,2-4H2,1H3
InChIKeySIXCFUKBYPOOMP-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.43
Rot. Bonds1

About 1-[3-(fluoromethyl)azetidin-1-yl]ethanone

1-[3-(fluoromethyl)azetidin-1-yl]ethanone (PubChem CID 121188787) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)azetidin-1-yl]ethanone
PubChem CID121188787
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-[3-(fluoromethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CF)C1
InChIInChI=1S/C6H10FNO/c1-5(9)8-3-6(2-7)4-8/h6H,2-4H2,1H3
InChIKeySIXCFUKBYPOOMP-UHFFFAOYSA-N
XLogP0.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
1-[3-(2-methoxyethyl)azetidin-1-yl]ethanone
CID 166687809
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595
(E)-4-[3-(fluoromethyl)azetidin-1-yl]-N-methyl-4-oxobut-2-enamide
CID 166965581
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
CID 121189085
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-[3-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]azetidin-1-yl]ethanone
CID 175786723

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]ethanone (CID 121188787) is 1-[3-(fluoromethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(fluoromethyl)azetidin-1-yl]ethanone is CC(=O)N1CC(CF)C1.
What is the InChIKey of 1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
The InChIKey is SIXCFUKBYPOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)8-3-6(2-7)4-8/h6H,2-4H2,1H3.
What are the key properties of 1-[3-(fluoromethyl)azetidin-1-yl]ethanone?
1-[3-(fluoromethyl)azetidin-1-yl]ethanone has a molecular weight of 131.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 121188787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).