2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one

C13H13FO2 — CID 114672241

IUPAC2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
SMILESCC1(C2CC2)CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C13H13FO2/c1-13(8-2-3-8)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-6,8H,2-3,7H2,1H3
InChIKeyYQWFTTHBEDCMTB-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.96
Rot. Bonds1

About 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one

2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one (PubChem CID 114672241) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
PubChem CID114672241
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
SMILESCC1(C2CC2)CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C13H13FO2/c1-13(8-2-3-8)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-6,8H,2-3,7H2,1H3
InChIKeyYQWFTTHBEDCMTB-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one?
The IUPAC name of 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one (CID 114672241) is 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one?
The canonical SMILES for 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one is CC1(C2CC2)CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one?
The InChIKey is YQWFTTHBEDCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-13(8-2-3-8)7-11(15)10-6-9(14)4-5-12(10)16-13/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one?
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one has a molecular weight of 220.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 114672241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).