1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one

C7H12FNO — CID 89177757

IUPAC1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)C1
InChIInChI=1S/C7H12FNO/c1-5(2)7(10)9-3-6(8)4-9/h5-6H,3-4H2,1-2H3
InChIKeyQPOWGIGKMQGXBN-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.82
Rot. Bonds1

About 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one

1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one (PubChem CID 89177757) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
PubChem CID89177757
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)C1
InChIInChI=1S/C7H12FNO/c1-5(2)7(10)9-3-6(8)4-9/h5-6H,3-4H2,1-2H3
InChIKeyQPOWGIGKMQGXBN-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
1-[(3aR,6aS)-2-methanidyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one
CID 59704533
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-[(4S)-4-hydroxy-1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-methylpropan-1-one
CID 134565803
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one
CID 90593934
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
1-(3-hydroxy-5-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 130871830
(3S,4S)-1-(2-methylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951080
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 158452958
2-methyl-1-[6-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 176742123

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one (CID 89177757) is 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one?
The InChIKey is QPOWGIGKMQGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(2)7(10)9-3-6(8)4-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one?
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one has a molecular weight of 145.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 89177757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).