1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone

C12H10F3NO — CID 3477838

IUPAC1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone
SMILESCCn1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H10F3NO/c1-2-16-7-9(11(17)12(13,14)15)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3
InChIKeyKBBZQJAXBUPWDV-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.41
Rot. Bonds2

About 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone

1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone (PubChem CID 3477838) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone
PubChem CID3477838
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone
SMILESCCn1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H10F3NO/c1-2-16-7-9(11(17)12(13,14)15)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3
InChIKeyKBBZQJAXBUPWDV-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone (CID 3477838) is 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone is CCn1cc(C(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is KBBZQJAXBUPWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-2-16-7-9(11(17)12(13,14)15)8-5-3-4-6-10(8)16/h3-7H,2H2,1H3.
What are the key properties of 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone?
1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 241.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 3477838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).