1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one

C8H14FNO2 — CID 130657502

IUPAC1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)(CO)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)7(12)10-3-8(9,4-10)5-11/h6,11H,3-5H2,1-2H3
InChIKeyKHRJYOMNWRXMTQ-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.19
Rot. Bonds2

About 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one

1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one (PubChem CID 130657502) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one
PubChem CID130657502
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)(CO)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)7(12)10-3-8(9,4-10)5-11/h6,11H,3-5H2,1-2H3
InChIKeyKHRJYOMNWRXMTQ-UHFFFAOYSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluoroazetidin-1-yl)-3-methoxy-2-methylpropan-1-one
CID 123288794
1-(3-Fluoroazetidin-1-yl)-3-hydroxy-2-methylbutan-1-one
CID 123563853
1-[3-Fluoro-3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 127011205
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-(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-(3-hydroxypropoxymethyl)azetidin-1-yl]ethanone
CID 84059155
2,2,2-Trifluoro-1-[3-[[3-hydroxypropyl(methyl)amino]methyl]azetidin-1-yl]ethanone
CID 84060331
3-(2,2-Difluoroethoxy)-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 103209120

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one (CID 130657502) is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(F)(CO)C1.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KHRJYOMNWRXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(2)7(12)10-3-8(9,4-10)5-11/h6,11H,3-5H2,1-2H3.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one?
1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 175.20 g/mol, XLogP of 0.19, 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]-2-methylpropan-1-one is sourced from PubChem (CID 130657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).