1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one

C7H12FNO2 — CID 127011205

IUPAC1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(F)(CO)C1
InChIInChI=1S/C7H12FNO2/c1-2-6(11)9-3-7(8,4-9)5-10/h10H,2-5H2,1H3
InChIKeyPETCFWZBGHOWPX-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.06
Rot. Bonds2

About 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one

1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one (PubChem CID 127011205) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one
PubChem CID127011205
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(F)(CO)C1
InChIInChI=1S/C7H12FNO2/c1-2-6(11)9-3-7(8,4-9)5-10/h10H,2-5H2,1H3
InChIKeyPETCFWZBGHOWPX-UHFFFAOYSA-N
XLogP-0.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 131105207
1-[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 155765548
1-[3-Fluoro-3-(methoxymethyl)azetidin-1-yl]ethanone
CID 175874230
3,3,3-Trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 65991993
2,2,2-Trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 65992600
4,4,4-Trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]butan-1-one
CID 65994166
3,3,3-Trifluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310201
2,2-Difluoro-1-[3-(hydroxymethyl)azetidin-1-yl]ethanone
CID 103513953
2,2,3,3-Tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 104920847
2,2,3,3,3-Pentafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 108092771
2-Fluoro-1-[3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one
CID 130168287
1-[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 130613642

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one (CID 127011205) is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one is CCC(=O)N1CC(F)(CO)C1.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The InChIKey is PETCFWZBGHOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-6(11)9-3-7(8,4-9)5-10/h10H,2-5H2,1H3.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one has a molecular weight of 161.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 127011205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).