(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one

C10H9FO2 — CID 7016138

IUPAC(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyRPAIBTVEPAACRP-LURJTMIESA-N
MW180.18 g/mol
LogP2.18
Rot. Bonds

About (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one

(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 7016138) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
PubChem CID7016138
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1
InChIKeyRPAIBTVEPAACRP-LURJTMIESA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516
2-(3,3-dimethylbutan-2-yl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114270731
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
6,7-dichloro-2-methyl-2,3-dihydrochromen-4-one
CID 12664412
6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
CID 43536412
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
2-(2-ethylsulfanylethyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672037
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one (CID 7016138) is (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one is C[C@H]1CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is RPAIBTVEPAACRP-LURJTMIESA-N. The full InChI is InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one?
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 180.18 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 7016138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).