ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole

C12H18FNO — CID 145147315

IUPACethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCC.COc1cc2c(cc1F)NC(C)C2
InChIInChI=1S/C10H12FNO.C2H6/c1-6-3-7-4-10(13-2)8(11)5-9(7)12-6;1-2/h4-6,12H,3H2,1-2H3;1-2H3
InChIKeyZNFNCMRKXOIZIM-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.22
Rot. Bonds1

About ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole

ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole (PubChem CID 145147315) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Nameethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
PubChem CID145147315
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Nameethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCC.COc1cc2c(cc1F)NC(C)C2
InChIInChI=1S/C10H12FNO.C2H6/c1-6-3-7-4-10(13-2)8(11)5-9(7)12-6;1-2/h4-6,12H,3H2,1-2H3;1-2H3
InChIKeyZNFNCMRKXOIZIM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 84694331
(2S)-5-methoxy-2-methyl-6-nitro-2,3-dihydro-1H-indole;hydrochloride
CID 67316649
S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine
CID 170593348
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one
CID 90875418
3-ethenyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 102338901
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79014891
7-fluoro-8-methoxy-4'-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-4-one
CID 115443221
3-(2,2-dimethylpropyl)-7-fluoro-8-methoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 107475377
7-fluoro-8-methoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 114827363
(2Z)-2-(6,7-dimethoxy-3-methyl-3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile
CID 68616350
S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane
CID 178151839

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole (CID 145147315) is ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole is CC.COc1cc2c(cc1F)NC(C)C2.
What is the InChIKey of ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is ZNFNCMRKXOIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.C2H6/c1-6-3-7-4-10(13-2)8(11)5-9(7)12-6;1-2/h4-6,12H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole?
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 211.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 145147315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).