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

C17H12F3NO — CID 3150841

IUPAC1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H12F3NO/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2
InChIKeyFLIPGOAKSVPLIH-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.43
Rot. Bonds3

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

1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone (PubChem CID 3150841) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone
PubChem CID3150841
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H12F3NO/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2
InChIKeyFLIPGOAKSVPLIH-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
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Indole-3-Carboxaldehyde
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Jwh 122
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Xlr 11
CID 57501498
Jwh 015
CID 4273754
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone (CID 3150841) is 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone is O=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is FLIPGOAKSVPLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c18-17(19,20)16(22)14-11-21(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2.
What are the key properties of 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone?
1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 303.28 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 3150841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).