(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C11H13FO2 — CID 104948099

IUPAC(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C11H13FO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3/t8?,10-/m0/s1
InChIKeyAXDKNYQCYXQWEU-HTLJXXAVSA-N
MW196.22 g/mol
LogP2.42
Rot. Bonds1

About (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948099) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948099
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C11H13FO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3/t8?,10-/m0/s1
InChIKeyAXDKNYQCYXQWEU-HTLJXXAVSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715755
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
CID 104948110
6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714035
6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714064
2-ethyl-6-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710775
(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948407
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948253
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948099) is (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol is CCC1C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AXDKNYQCYXQWEU-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-8-6-10(13)9-5-7(12)3-4-11(9)14-8/h3-5,8,10,13H,2,6H2,1H3/t8?,10-/m0/s1.
What are the key properties of (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 196.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).