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

5,5-dipropyloxolane-2,3-dione
CID 54270055
(4R)-8-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68595565
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
2,2-diethyl-7-fluoro-3H-chromen-4-one
CID 67362507
8-fluoro-2,2,7-trimethyl-3H-chromen-4-one
CID 103920514
3-bromo-5-fluoro-3-methyl-4H-isochromen-1-one
CID 71271857
ethyl 3-[2-(3-ethoxy-3-oxopropyl)-4-oxo-8-propyl-7-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propoxy]-3H-chromen-2-yl]propanoate
CID 15157459
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
6-bromo-2-butyl-2-(methoxymethyl)-3H-chromen-4-one
CID 143944320
2-[2-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]phenyl]benzenesulfonamide
CID 67675771
2,2-dipropyl-1,3-benzodioxin-4-one
CID 176766083

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).