(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one

C13H16FNO — CID 129363883

IUPAC(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one
SMILESCN(C)CC[C@@H]1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C13H16FNO/c1-15(2)6-5-10-7-9-3-4-11(14)8-12(9)13(10)16/h3-4,8,10H,5-7H2,1-2H3/t10-/m1/s1
InChIKeyWFYCEAZMAFJHKY-SNVBAGLBSA-N
MW221.28 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one

(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one (PubChem CID 129363883) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one
PubChem CID129363883
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one
SMILESCN(C)CC[C@@H]1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C13H16FNO/c1-15(2)6-5-10-7-9-3-4-11(14)8-12(9)13(10)16/h3-4,8,10H,5-7H2,1-2H3/t10-/m1/s1
InChIKeyWFYCEAZMAFJHKY-SNVBAGLBSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-5-fluoro-2,3-dihydroinden-1-one
CID 68805219
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
CID 166138415
4-(5-methyl-3-oxo-1,2-dihydroinden-2-yl)butanoic acid
CID 13254244
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
3-(aminomethyl)-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 84619249
2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21154554
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
(2S)-2-but-2-enyl-6-methyl-2,3-dihydroinden-1-one
CID 67713899
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl chloride
CID 12051709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one (CID 129363883) is (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one is CN(C)CC[C@@H]1Cc2ccc(F)cc2C1=O.
What is the InChIKey of (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one?
The InChIKey is WFYCEAZMAFJHKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15(2)6-5-10-7-9-3-4-11(14)8-12(9)13(10)16/h3-4,8,10H,5-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one?
(2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one has a molecular weight of 221.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)ethyl]-6-fluoro-2,3-dihydroinden-1-one is sourced from PubChem (CID 129363883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).