6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one

C16H19FO3 — CID 114672109

IUPAC6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCC(C)C1CC2(CCO1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C16H19FO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-7-11(17)3-4-14(12)20-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyJEYYNYQZNIRYHF-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.36
Rot. Bonds1

About 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one

6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one (PubChem CID 114672109) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one.

Molecular Properties

Compound Name6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
PubChem CID114672109
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
SMILESCC(C)C1CC2(CCO1)CC(=O)c1cc(F)ccc1O2
InChIInChI=1S/C16H19FO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-7-11(17)3-4-14(12)20-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyJEYYNYQZNIRYHF-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one?
The IUPAC name of 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one (CID 114672109) is 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one.
What is the SMILES notation for 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one?
The canonical SMILES for 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one is CC(C)C1CC2(CCO1)CC(=O)c1cc(F)ccc1O2.
What is the InChIKey of 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one?
The InChIKey is JEYYNYQZNIRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-7-11(17)3-4-14(12)20-16/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one?
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one has a molecular weight of 278.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one is sourced from PubChem (CID 114672109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).