6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one

C12H13FO2 — CID 114672243

IUPAC6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C12H13FO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,12H,6H2,1-2H3
InChIKeyXYQZIAQPBJGLHB-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.82
Rot. Bonds1

About 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one

6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 114672243) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID114672243
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C12H13FO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,12H,6H2,1-2H3
InChIKeyXYQZIAQPBJGLHB-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114270731
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
7-methyl-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 585332
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
methyl 2-(4-oxo-2-propan-2-yl-2,3-dihydrochromen-6-yl)propanoate
CID 21322002
(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
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
(2R)-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-2,3-dihydrochromene-2-carboxamide
CID 35339058

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one (CID 114672243) is 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one is CC(C)C1CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is XYQZIAQPBJGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one?
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 208.23 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).