ethane;3-fluoro-1,2-dimethylindol-5-ol

C12H16FNO — CID 145147289

IUPACethane;3-fluoro-1,2-dimethylindol-5-ol
SMILESCC.Cc1c(F)c2cc(O)ccc2n1C
InChIInChI=1S/C10H10FNO.C2H6/c1-6-10(11)8-5-7(13)3-4-9(8)12(6)2;1-2/h3-5,13H,1-2H3;1-2H3
InChIKeyXLGAJJOQVQWBPT-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.36
Rot. Bonds

About ethane;3-fluoro-1,2-dimethylindol-5-ol

ethane;3-fluoro-1,2-dimethylindol-5-ol (PubChem CID 145147289) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is ethane;3-fluoro-1,2-dimethylindol-5-ol.

Molecular Properties

Compound Nameethane;3-fluoro-1,2-dimethylindol-5-ol
PubChem CID145147289
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Nameethane;3-fluoro-1,2-dimethylindol-5-ol
SMILESCC.Cc1c(F)c2cc(O)ccc2n1C
InChIInChI=1S/C10H10FNO.C2H6/c1-6-10(11)8-5-7(13)3-4-9(8)12(6)2;1-2/h3-5,13H,1-2H3;1-2H3
InChIKeyXLGAJJOQVQWBPT-UHFFFAOYSA-N
XLogP3.36
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
CID 12616715
6-hydroxy-1,2-dimethylquinolin-4-one
CID 130032779
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 115109089
6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
CID 115028655
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
8-hydroxy-1,4-dimethoxy-5-methylindeno[1,2-b]indol-10-one
CID 11666719
3-(2-chlorophenyl)-1-(5-hydroxy-1,2-dimethylindol-3-yl)prop-2-en-1-one
CID 2837645
4-(aminomethyl)-6-hydroxy-1-methylquinolin-2-one
CID 115023409
7-hydroxy-4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylic acid
CID 115007774
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
CID 83881219
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1,2-dimethylindole-3-carboxamide
CID 124753319

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1,2-dimethylindol-5-ol?
The IUPAC name of ethane;3-fluoro-1,2-dimethylindol-5-ol (CID 145147289) is ethane;3-fluoro-1,2-dimethylindol-5-ol.
What is the SMILES notation for ethane;3-fluoro-1,2-dimethylindol-5-ol?
The canonical SMILES for ethane;3-fluoro-1,2-dimethylindol-5-ol is CC.Cc1c(F)c2cc(O)ccc2n1C.
What is the InChIKey of ethane;3-fluoro-1,2-dimethylindol-5-ol?
The InChIKey is XLGAJJOQVQWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.C2H6/c1-6-10(11)8-5-7(13)3-4-9(8)12(6)2;1-2/h3-5,13H,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-1,2-dimethylindol-5-ol?
ethane;3-fluoro-1,2-dimethylindol-5-ol has a molecular weight of 209.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-1,2-dimethylindol-5-ol is sourced from PubChem (CID 145147289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).