[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone

C8H12FNO3 — CID 130652634

IUPAC[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
SMILESO=C(C1COC1)N1CC(F)(CO)C1
InChIInChI=1S/C8H12FNO3/c9-8(5-11)3-10(4-8)7(12)6-1-13-2-6/h6,11H,1-5H2
InChIKeyLOJRZJVKPCFJLH-UHFFFAOYSA-N
MW189.19 g/mol
LogP-0.82
Rot. Bonds2

About [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone

[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone (PubChem CID 130652634) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
PubChem CID130652634
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone
SMILESO=C(C1COC1)N1CC(F)(CO)C1
InChIInChI=1S/C8H12FNO3/c9-8(5-11)3-10(4-8)7(12)6-1-13-2-6/h6,11H,1-5H2
InChIKeyLOJRZJVKPCFJLH-UHFFFAOYSA-N
XLogP-0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The IUPAC name of [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone (CID 130652634) is [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone.
What is the SMILES notation for [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The canonical SMILES for [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone is O=C(C1COC1)N1CC(F)(CO)C1.
What is the InChIKey of [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
The InChIKey is LOJRZJVKPCFJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-8(5-11)3-10(4-8)7(12)6-1-13-2-6/h6,11H,1-5H2.
What are the key properties of [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone?
[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone has a molecular weight of 189.19 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-(hydroxymethyl)azetidin-1-yl]-(oxetan-3-yl)methanone is sourced from PubChem (CID 130652634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).