ethane;6-fluoro-5-methoxy-1-methylindole

C12H16FNO — CID 144622311

IUPACethane;6-fluoro-5-methoxy-1-methylindole
SMILESCC.COc1cc2ccn(C)c2cc1F
InChIInChI=1S/C10H10FNO.C2H6/c1-12-4-3-7-5-10(13-2)8(11)6-9(7)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOCSBONNQFZEBIM-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.35
Rot. Bonds1

About ethane;6-fluoro-5-methoxy-1-methylindole

ethane;6-fluoro-5-methoxy-1-methylindole (PubChem CID 144622311) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is ethane;6-fluoro-5-methoxy-1-methylindole.

Molecular Properties

Compound Nameethane;6-fluoro-5-methoxy-1-methylindole
PubChem CID144622311
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Nameethane;6-fluoro-5-methoxy-1-methylindole
SMILESCC.COc1cc2ccn(C)c2cc1F
InChIInChI=1S/C10H10FNO.C2H6/c1-12-4-3-7-5-10(13-2)8(11)6-9(7)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOCSBONNQFZEBIM-UHFFFAOYSA-N
XLogP3.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 154694257
CID 154694257
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
CID 96609929
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
CID 159730483
5-fluoro-6-isocyano-1-methylindole
CID 170653117
5,6,7-trimethoxy-1-methylindole
CID 141308126
[(6-methoxy-1-methylindol-5-yl)amino]urea
CID 131842642
4-amino-4-(5-methoxy-1-methylindol-6-yl)butanoic acid
CID 117410418
[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399233
2-(5-fluoro-6-methoxyindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162388864
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 90702021

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-5-methoxy-1-methylindole?
The IUPAC name of ethane;6-fluoro-5-methoxy-1-methylindole (CID 144622311) is ethane;6-fluoro-5-methoxy-1-methylindole.
What is the SMILES notation for ethane;6-fluoro-5-methoxy-1-methylindole?
The canonical SMILES for ethane;6-fluoro-5-methoxy-1-methylindole is CC.COc1cc2ccn(C)c2cc1F.
What is the InChIKey of ethane;6-fluoro-5-methoxy-1-methylindole?
The InChIKey is OCSBONNQFZEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.C2H6/c1-12-4-3-7-5-10(13-2)8(11)6-9(7)12;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;6-fluoro-5-methoxy-1-methylindole?
ethane;6-fluoro-5-methoxy-1-methylindole has a molecular weight of 209.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-5-methoxy-1-methylindole is sourced from PubChem (CID 144622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).