2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone

C12H13FN2O — CID 162388933

IUPAC2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone
SMILESCN(C)CC(=O)n1ccc2cccc(F)c21
InChIInChI=1S/C12H13FN2O/c1-14(2)8-11(16)15-7-6-9-4-3-5-10(13)12(9)15/h3-7H,8H2,1-2H3
InChIKeyIOPGVRFWJSFXPP-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.98
Rot. Bonds2

About 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone

2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone (PubChem CID 162388933) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone
PubChem CID162388933
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone
SMILESCN(C)CC(=O)n1ccc2cccc(F)c21
InChIInChI=1S/C12H13FN2O/c1-14(2)8-11(16)15-7-6-9-4-3-5-10(13)12(9)15/h3-7H,8H2,1-2H3
InChIKeyIOPGVRFWJSFXPP-UHFFFAOYSA-N
XLogP1.98
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone (CID 162388933) is 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone is CN(C)CC(=O)n1ccc2cccc(F)c21.
What is the InChIKey of 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone?
The InChIKey is IOPGVRFWJSFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-14(2)8-11(16)15-7-6-9-4-3-5-10(13)12(9)15/h3-7H,8H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone?
2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone has a molecular weight of 220.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(7-fluoroindol-1-yl)ethanone is sourced from PubChem (CID 162388933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).