1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone

C12H12FNO — CID 71024703

IUPAC1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone
SMILESCCc1cc2cc(C(C)=O)[nH]c2cc1F
InChIInChI=1S/C12H12FNO/c1-3-8-4-9-5-11(7(2)15)14-12(9)6-10(8)13/h4-6,14H,3H2,1-2H3
InChIKeyQYPKRVQYXVJEJJ-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.07
Rot. Bonds2

About 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone

1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone (PubChem CID 71024703) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone
PubChem CID71024703
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone
SMILESCCc1cc2cc(C(C)=O)[nH]c2cc1F
InChIInChI=1S/C12H12FNO/c1-3-8-4-9-5-11(7(2)15)14-12(9)6-10(8)13/h4-6,14H,3H2,1-2H3
InChIKeyQYPKRVQYXVJEJJ-UHFFFAOYSA-N
XLogP3.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone (CID 71024703) is 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone is CCc1cc2cc(C(C)=O)[nH]c2cc1F.
What is the InChIKey of 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone?
The InChIKey is QYPKRVQYXVJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-8-4-9-5-11(7(2)15)14-12(9)6-10(8)13/h4-6,14H,3H2,1-2H3.
What are the key properties of 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone?
1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone has a molecular weight of 205.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-6-fluoro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 71024703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).