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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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).