6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one

C13H13FO3 — CID 106825069

IUPAC6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESCOC1CC2(CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C13H13FO3/c1-16-9-5-13(6-9)7-11(15)10-4-8(14)2-3-12(10)17-13/h2-4,9H,5-7H2,1H3
InChIKeyJRZKVRBTXXRGGU-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.34
Rot. Bonds1

About 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one

6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one (PubChem CID 106825069) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one.

Molecular Properties

Compound Name6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
PubChem CID106825069
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESCOC1CC2(CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C13H13FO3/c1-16-9-5-13(6-9)7-11(15)10-4-8(14)2-3-12(10)17-13/h2-4,9H,5-7H2,1H3
InChIKeyJRZKVRBTXXRGGU-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The IUPAC name of 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one (CID 106825069) is 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one.
What is the SMILES notation for 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The canonical SMILES for 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one is COC1CC2(CC(=O)c3cc(F)ccc3O2)C1.
What is the InChIKey of 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The InChIKey is JRZKVRBTXXRGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-16-9-5-13(6-9)7-11(15)10-4-8(14)2-3-12(10)17-13/h2-4,9H,5-7H2,1H3.
What are the key properties of 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one?
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one has a molecular weight of 236.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one is sourced from PubChem (CID 106825069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).