(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

C11H13FN2O — CID 103796136

IUPAC(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2O/c1-7(13)11(15)14-5-4-8-2-3-9(12)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyREDYLZFHBHOCGH-ZETCQYMHSA-N
MW208.24 g/mol
LogP1.06
Rot. Bonds1

About (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 103796136) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID103796136
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H13FN2O/c1-7(13)11(15)14-5-4-8-2-3-9(12)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyREDYLZFHBHOCGH-ZETCQYMHSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
2-(aminomethyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpentan-1-one
CID 103810185
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one (CID 103796136) is (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is C[C@H](N)C(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is REDYLZFHBHOCGH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(13)11(15)14-5-4-8-2-3-9(12)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 208.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 103796136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).