8-fluoro-2,2-dipropyl-3H-chromen-4-one

C15H19FO2 — CID 67362861

IUPAC8-fluoro-2,2-dipropyl-3H-chromen-4-one
SMILESCCCC1(CCC)CC(=O)c2cccc(F)c2O1
InChIInChI=1S/C15H19FO2/c1-3-8-15(9-4-2)10-13(17)11-6-5-7-12(16)14(11)18-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyMEGHMDFPGHGUKX-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.13
Rot. Bonds4

About 8-fluoro-2,2-dipropyl-3H-chromen-4-one

8-fluoro-2,2-dipropyl-3H-chromen-4-one (PubChem CID 67362861) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 8-fluoro-2,2-dipropyl-3H-chromen-4-one.

Molecular Properties

Compound Name8-fluoro-2,2-dipropyl-3H-chromen-4-one
PubChem CID67362861
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name8-fluoro-2,2-dipropyl-3H-chromen-4-one
SMILESCCCC1(CCC)CC(=O)c2cccc(F)c2O1
InChIInChI=1S/C15H19FO2/c1-3-8-15(9-4-2)10-13(17)11-6-5-7-12(16)14(11)18-15/h5-7H,3-4,8-10H2,1-2H3
InChIKeyMEGHMDFPGHGUKX-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flavanone
CID 10251
Flavone
CID 10680
Xanthone
CID 7020
Isoflavone
CID 72304
3-Methylchromone
CID 66569
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481
Chromanone
CID 68110
Benzaldehyde, 2-ethoxy-
CID 11950
2'-Methoxyflavone
CID 146492
2-Methoxyxanthone
CID 71034
3'-Methoxyflavone
CID 619834

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,2-dipropyl-3H-chromen-4-one?
The IUPAC name of 8-fluoro-2,2-dipropyl-3H-chromen-4-one (CID 67362861) is 8-fluoro-2,2-dipropyl-3H-chromen-4-one.
What is the SMILES notation for 8-fluoro-2,2-dipropyl-3H-chromen-4-one?
The canonical SMILES for 8-fluoro-2,2-dipropyl-3H-chromen-4-one is CCCC1(CCC)CC(=O)c2cccc(F)c2O1.
What is the InChIKey of 8-fluoro-2,2-dipropyl-3H-chromen-4-one?
The InChIKey is MEGHMDFPGHGUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-8-15(9-4-2)10-13(17)11-6-5-7-12(16)14(11)18-15/h5-7H,3-4,8-10H2,1-2H3.
What are the key properties of 8-fluoro-2,2-dipropyl-3H-chromen-4-one?
8-fluoro-2,2-dipropyl-3H-chromen-4-one has a molecular weight of 250.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,2-dipropyl-3H-chromen-4-one is sourced from PubChem (CID 67362861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).