1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione

C18H14FNO2 — CID 77108192

IUPAC1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14FNO2/c19-15-4-2-1-3-14(15)18(22)8-7-17(21)13-5-6-16-12(11-13)9-10-20-16/h1-6,9-11,20H,7-8H2
InChIKeyFGVWABHVZBXRRG-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione

1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione (PubChem CID 77108192) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione
PubChem CID77108192
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1F)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14FNO2/c19-15-4-2-1-3-14(15)18(22)8-7-17(21)13-5-6-16-12(11-13)9-10-20-16/h1-6,9-11,20H,7-8H2
InChIKeyFGVWABHVZBXRRG-UHFFFAOYSA-N
XLogP4.15
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione (CID 77108192) is 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione is O=C(CCC(=O)c1ccccc1F)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione?
The InChIKey is FGVWABHVZBXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-15-4-2-1-3-14(15)18(22)8-7-17(21)13-5-6-16-12(11-13)9-10-20-16/h1-6,9-11,20H,7-8H2.
What are the key properties of 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione?
1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione has a molecular weight of 295.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(1H-indol-5-yl)butane-1,4-dione is sourced from PubChem (CID 77108192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).