3-(4-fluorophenyl)-1-propan-2-ylindole

C17H16FN — CID 736229

IUPAC3-(4-fluorophenyl)-1-propan-2-ylindole
SMILESCC(C)n1cc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3
InChIKeyZDZJOIIBECYKAJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP5.03
Rot. Bonds2

About 3-(4-fluorophenyl)-1-propan-2-ylindole

3-(4-fluorophenyl)-1-propan-2-ylindole (PubChem CID 736229) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propan-2-ylindole
PubChem CID736229
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name3-(4-fluorophenyl)-1-propan-2-ylindole
SMILESCC(C)n1cc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3
InChIKeyZDZJOIIBECYKAJ-UHFFFAOYSA-N
XLogP5.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propan-2-ylindole?
The IUPAC name of 3-(4-fluorophenyl)-1-propan-2-ylindole (CID 736229) is 3-(4-fluorophenyl)-1-propan-2-ylindole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propan-2-ylindole?
The canonical SMILES for 3-(4-fluorophenyl)-1-propan-2-ylindole is CC(C)n1cc(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-propan-2-ylindole?
The InChIKey is ZDZJOIIBECYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-propan-2-ylindole?
3-(4-fluorophenyl)-1-propan-2-ylindole has a molecular weight of 253.32 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propan-2-ylindole is sourced from PubChem (CID 736229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).