7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one

C13H11FO3 — CID 24804631

IUPAC7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one
SMILESO=C1CC2(C=COC=C2)OC2=C1CCC(F)=C2
InChIInChI=1S/C13H11FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h3-7H,1-2,8H2
InChIKeyPBCLKKUFIIHDNU-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.67
Rot. Bonds

About 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one

7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one (PubChem CID 24804631) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one.

Molecular Properties

Compound Name7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one
PubChem CID24804631
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one
SMILESO=C1CC2(C=COC=C2)OC2=C1CCC(F)=C2
InChIInChI=1S/C13H11FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h3-7H,1-2,8H2
InChIKeyPBCLKKUFIIHDNU-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-2-propan-2-yl-5,6-dihydro-3H-chromen-4-one
CID 139642662
7-Fluoro-2,3,5,6-tetrahydrochromen-4-one
CID 140251076
3,5-dihydro-2H-cyclopenta[g]chromen-4-one
CID 88206718
6-Methyl-2,3,5,6-tetrahydrochromen-4-one
CID 123425250
2,3,5,6-Tetrahydrochromen-4-one
CID 129716129
6-Ethyl-2,3,5,6-tetrahydrochromen-4-one
CID 143275947
8-Methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one
CID 166655525
1a,5,6,7b-tetrahydro-1H-cyclopropa[f]chromen-7-one
CID 177198503

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one?
The IUPAC name of 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one (CID 24804631) is 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one.
What is the SMILES notation for 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one?
The canonical SMILES for 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one is O=C1CC2(C=COC=C2)OC2=C1CCC(F)=C2.
What is the InChIKey of 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one?
The InChIKey is PBCLKKUFIIHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h3-7H,1-2,8H2.
What are the key properties of 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one?
7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one has a molecular weight of 234.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[5,6-dihydro-3H-chromene-2,4'-pyran]-4-one is sourced from PubChem (CID 24804631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).