4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one

C18H16FNO — CID 63851293

IUPAC4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
SMILESO=C(CCCn1ccc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C18H16FNO/c19-16-8-9-17-15(13-16)10-12-20(17)11-4-7-18(21)14-5-2-1-3-6-14/h1-3,5-6,8-10,12-13H,4,7,11H2
InChIKeyMMDMAWNEXQMAJL-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.44
Rot. Bonds5

About 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one

4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one (PubChem CID 63851293) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
PubChem CID63851293
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
SMILESO=C(CCCn1ccc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C18H16FNO/c19-16-8-9-17-15(13-16)10-12-20(17)11-4-7-18(21)14-5-2-1-3-6-14/h1-3,5-6,8-10,12-13H,4,7,11H2
InChIKeyMMDMAWNEXQMAJL-UHFFFAOYSA-N
XLogP4.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one (CID 63851293) is 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one is O=C(CCCn1ccc2cc(F)ccc21)c1ccccc1.
What is the InChIKey of 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one?
The InChIKey is MMDMAWNEXQMAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-8-9-17-15(13-16)10-12-20(17)11-4-7-18(21)14-5-2-1-3-6-14/h1-3,5-6,8-10,12-13H,4,7,11H2.
What are the key properties of 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one?
4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one has a molecular weight of 281.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 63851293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).