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

C11H10FNO2 — CID 121207087

IUPAC6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
SMILESO=C1CC2(CNC2)Oc2ccc(F)cc21
InChIInChI=1S/C11H10FNO2/c12-7-1-2-10-8(3-7)9(14)4-11(15-10)5-13-6-11/h1-3,13H,4-6H2
InChIKeyDEAOFTYWQHDIIA-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.13
Rot. Bonds

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

6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one (PubChem CID 121207087) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
PubChem CID121207087
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
SMILESO=C1CC2(CNC2)Oc2ccc(F)cc21
InChIInChI=1S/C11H10FNO2/c12-7-1-2-10-8(3-7)9(14)4-11(15-10)5-13-6-11/h1-3,13H,4-6H2
InChIKeyDEAOFTYWQHDIIA-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The IUPAC name of 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one (CID 121207087) is 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one.
What is the SMILES notation for 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The canonical SMILES for 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one is O=C1CC2(CNC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one?
The InChIKey is DEAOFTYWQHDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-7-1-2-10-8(3-7)9(14)4-11(15-10)5-13-6-11/h1-3,13H,4-6H2.
What are the key properties of 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one?
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one has a molecular weight of 207.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one is sourced from PubChem (CID 121207087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).