3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one

C9H15F2NO3 — CID 103209120

IUPAC3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CC(CO)C1
InChIInChI=1S/C9H15F2NO3/c10-8(11)6-15-2-1-9(14)12-3-7(4-12)5-13/h7-8,13H,1-6H2
InChIKeyUUVIMTORPPSUDF-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.11
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one (PubChem CID 103209120) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
PubChem CID103209120
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CC(CO)C1
InChIInChI=1S/C9H15F2NO3/c10-8(11)6-15-2-1-9(14)12-3-7(4-12)5-13/h7-8,13H,1-6H2
InChIKeyUUVIMTORPPSUDF-UHFFFAOYSA-N
XLogP0.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Hydroxyazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 63105882
1-[3-(2,2,2-Trifluoroethoxy)propanoyl]azetidine-3-carboxylic acid
CID 64259865
1-(3-Hydroxy-3-methylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 65919873
1-[3-(Hydroxymethyl)azetidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 65991150
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
2,2,2-Trifluoro-1-[3-(2-hydroxyethoxymethyl)azetidin-1-yl]ethanone
CID 84056494
2,2,2-Trifluoro-1-[3-(3-hydroxypropoxymethyl)azetidin-1-yl]ethanone
CID 84059155
3-[[1-(2,2,2-Trifluoroacetyl)azetidin-3-yl]methoxy]propanamide
CID 84060320
3-{[1-(2,2,2-Trifluoroacetyl)azetidin-3-yl]methoxy}propanoic acid
CID 84060391
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpropoxy)propanamide
CID 100629308

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one (CID 103209120) is 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one is O=C(CCOCC(F)F)N1CC(CO)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The InChIKey is UUVIMTORPPSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-8(11)6-15-2-1-9(14)12-3-7(4-12)5-13/h7-8,13H,1-6H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one has a molecular weight of 223.22 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 103209120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).