3-ethenyl-6-fluoro-4-methylchromen-2-one

C12H9FO2 — CID 24787267

IUPAC3-ethenyl-6-fluoro-4-methylchromen-2-one
SMILESC=Cc1c(C)c2cc(F)ccc2oc1=O
InChIInChI=1S/C12H9FO2/c1-3-9-7(2)10-6-8(13)4-5-11(10)15-12(9)14/h3-6H,1H2,2H3
InChIKeyCOMCYTRTEFBOLY-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.88
Rot. Bonds1

About 3-ethenyl-6-fluoro-4-methylchromen-2-one

3-ethenyl-6-fluoro-4-methylchromen-2-one (PubChem CID 24787267) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-ethenyl-6-fluoro-4-methylchromen-2-one.

Molecular Properties

Compound Name3-ethenyl-6-fluoro-4-methylchromen-2-one
PubChem CID24787267
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name3-ethenyl-6-fluoro-4-methylchromen-2-one
SMILESC=Cc1c(C)c2cc(F)ccc2oc1=O
InChIInChI=1S/C12H9FO2/c1-3-9-7(2)10-6-8(13)4-5-11(10)15-12(9)14/h3-6H,1H2,2H3
InChIKeyCOMCYTRTEFBOLY-UHFFFAOYSA-N
XLogP2.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
2-[(1E)-2-chlorobuta-1,3-dienyl]-5-fluoro-3-methyl-1-benzofuran
CID 167223021
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
CID 145414402
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
3-[(3-aminophenyl)methyl]-6-fluoro-4-methylchromen-2-one
CID 123603807
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
3-[(3-amino-2-fluorophenyl)methyl]-6-fluoro-4-methylchromen-2-one
CID 123939894
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-fluoro-4-methylchromen-2-one?
The IUPAC name of 3-ethenyl-6-fluoro-4-methylchromen-2-one (CID 24787267) is 3-ethenyl-6-fluoro-4-methylchromen-2-one.
What is the SMILES notation for 3-ethenyl-6-fluoro-4-methylchromen-2-one?
The canonical SMILES for 3-ethenyl-6-fluoro-4-methylchromen-2-one is C=Cc1c(C)c2cc(F)ccc2oc1=O.
What is the InChIKey of 3-ethenyl-6-fluoro-4-methylchromen-2-one?
The InChIKey is COMCYTRTEFBOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c1-3-9-7(2)10-6-8(13)4-5-11(10)15-12(9)14/h3-6H,1H2,2H3.
What are the key properties of 3-ethenyl-6-fluoro-4-methylchromen-2-one?
3-ethenyl-6-fluoro-4-methylchromen-2-one has a molecular weight of 204.20 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-fluoro-4-methylchromen-2-one is sourced from PubChem (CID 24787267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).