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

C10H18FNO2 — CID 155765548

IUPAC1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(F)(CO)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)4-8(14)12-5-10(11,6-12)7-13/h13H,4-7H2,1-3H3
InChIKeyFMDKVRRDJSIDGH-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.97
Rot. Bonds2

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

1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 155765548) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID155765548
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(F)(CO)C1
InChIInChI=1S/C10H18FNO2/c1-9(2,3)4-8(14)12-5-10(11,6-12)7-13/h13H,4-7H2,1-3H3
InChIKeyFMDKVRRDJSIDGH-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (CID 155765548) is 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CC(F)(CO)C1.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is FMDKVRRDJSIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-9(2,3)4-8(14)12-5-10(11,6-12)7-13/h13H,4-7H2,1-3H3.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 203.26 g/mol, XLogP of 0.97, 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]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155765548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).