6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one

C11H9F2NO2 — CID 160993637

IUPAC6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one
SMILESO=C1CC2(CNC2)Oc2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO2/c12-6-1-7-9(15)3-11(4-14-5-11)16-10(7)8(13)2-6/h1-2,14H,3-5H2
InChIKeyTUYLRAUSDFVQBC-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.27
Rot. Bonds

About 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one

6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one (PubChem CID 160993637) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one
PubChem CID160993637
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one
SMILESO=C1CC2(CNC2)Oc2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO2/c12-6-1-7-9(15)3-11(4-14-5-11)16-10(7)8(13)2-6/h1-2,14H,3-5H2
InChIKeyTUYLRAUSDFVQBC-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The IUPAC name of 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one (CID 160993637) is 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one.
What is the SMILES notation for 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The canonical SMILES for 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one is O=C1CC2(CNC2)Oc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The InChIKey is TUYLRAUSDFVQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-6-1-7-9(15)3-11(4-14-5-11)16-10(7)8(13)2-6/h1-2,14H,3-5H2.
What are the key properties of 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one?
6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one has a molecular weight of 225.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluorospiro[3H-chromene-2,3'-azetidine]-4-one is sourced from PubChem (CID 160993637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).