2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one

C15H19FO2 — CID 114270731

IUPAC2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESCC(C1CC(=O)c2cc(F)ccc2O1)C(C)(C)C
InChIInChI=1S/C15H19FO2/c1-9(15(2,3)4)14-8-12(17)11-7-10(16)5-6-13(11)18-14/h5-7,9,14H,8H2,1-4H3
InChIKeyGNLFLHSARLTJEM-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.84
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one

2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114270731) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
PubChem CID114270731
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
SMILESCC(C1CC(=O)c2cc(F)ccc2O1)C(C)(C)C
InChIInChI=1S/C15H19FO2/c1-9(15(2,3)4)14-8-12(17)11-7-10(16)5-6-13(11)18-14/h5-7,9,14H,8H2,1-4H3
InChIKeyGNLFLHSARLTJEM-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
6-fluoro-2-[1-(2-hydroxypropan-2-yloxy)ethyl]-2,3-dihydrochromen-4-one
CID 142891579
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
CID 10041383
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
CID 35339058
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 692769
2-(2-ethylsulfanylethyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672037
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one (CID 114270731) is 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one is CC(C1CC(=O)c2cc(F)ccc2O1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is GNLFLHSARLTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-9(15(2,3)4)14-8-12(17)11-7-10(16)5-6-13(11)18-14/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one?
2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 250.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114270731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).