ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone

C13H16FNO2 — CID 145147265

IUPACethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone
SMILESCC.CC(=O)n1c(C)cc2c(F)c(O)ccc21
InChIInChI=1S/C11H10FNO2.C2H6/c1-6-5-8-9(13(6)7(2)14)3-4-10(15)11(8)12;1-2/h3-5,15H,1-2H3;1-2H3
InChIKeyHFVQGCVNKUTRBS-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.48
Rot. Bonds

About ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone

ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone (PubChem CID 145147265) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone
PubChem CID145147265
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Nameethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone
SMILESCC.CC(=O)n1c(C)cc2c(F)c(O)ccc21
InChIInChI=1S/C11H10FNO2.C2H6/c1-6-5-8-9(13(6)7(2)14)3-4-10(15)11(8)12;1-2/h3-5,15H,1-2H3;1-2H3
InChIKeyHFVQGCVNKUTRBS-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone?
The IUPAC name of ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone (CID 145147265) is ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone is CC.CC(=O)n1c(C)cc2c(F)c(O)ccc21.
What is the InChIKey of ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone?
The InChIKey is HFVQGCVNKUTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2.C2H6/c1-6-5-8-9(13(6)7(2)14)3-4-10(15)11(8)12;1-2/h3-5,15H,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone?
ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone has a molecular weight of 237.27 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluoro-5-hydroxy-2-methylindol-1-yl)ethanone is sourced from PubChem (CID 145147265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).