1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one

C18H16FNO — CID 83783697

IUPAC1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one
SMILESCC(=O)Cc1cn(Cc2ccccc2)c2cccc(F)c12
InChIInChI=1S/C18H16FNO/c1-13(21)10-15-12-20(11-14-6-3-2-4-7-14)17-9-5-8-16(19)18(15)17/h2-9,12H,10-11H2,1H3
InChIKeyAVZIALFMMBEFRO-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.96
Rot. Bonds4

About 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one

1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one (PubChem CID 83783697) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one
PubChem CID83783697
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one
SMILESCC(=O)Cc1cn(Cc2ccccc2)c2cccc(F)c12
InChIInChI=1S/C18H16FNO/c1-13(21)10-15-12-20(11-14-6-3-2-4-7-14)17-9-5-8-16(19)18(15)17/h2-9,12H,10-11H2,1H3
InChIKeyAVZIALFMMBEFRO-UHFFFAOYSA-N
XLogP3.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one?
The IUPAC name of 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one (CID 83783697) is 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one?
The canonical SMILES for 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one is CC(=O)Cc1cn(Cc2ccccc2)c2cccc(F)c12.
What is the InChIKey of 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one?
The InChIKey is AVZIALFMMBEFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-13(21)10-15-12-20(11-14-6-3-2-4-7-14)17-9-5-8-16(19)18(15)17/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one?
1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one has a molecular weight of 281.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4-fluoroindol-3-yl)propan-2-one is sourced from PubChem (CID 83783697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).