1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one

C7H12FNO — CID 123953900

IUPAC1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H12FNO/c1-3-6(10)9-4-7(2,8)5-9/h3-5H2,1-2H3
InChIKeyMIBMAMVZJUKBEX-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds1

About 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one

1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one (PubChem CID 123953900) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
PubChem CID123953900
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)(F)C1
InChIInChI=1S/C7H12FNO/c1-3-6(10)9-4-7(2,8)5-9/h3-5H2,1-2H3
InChIKeyMIBMAMVZJUKBEX-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one (CID 123953900) is 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one is CCC(=O)N1CC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The InChIKey is MIBMAMVZJUKBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-6(10)9-4-7(2,8)5-9/h3-5H2,1-2H3.
What are the key properties of 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one has a molecular weight of 145.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 123953900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).