4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole

C15H21FN2 — CID 168939762

IUPAC4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
SMILESCC(C)N1CCC(n2ccc3c2=CCCC=3F)C1
InChIInChI=1S/C15H21FN2/c1-11(2)17-8-6-12(10-17)18-9-7-13-14(16)4-3-5-15(13)18/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyNYIWKGVCEKSHIW-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.80
Rot. Bonds2

About 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole

4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole (PubChem CID 168939762) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole.

Molecular Properties

Compound Name4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
PubChem CID168939762
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
SMILESCC(C)N1CCC(n2ccc3c2=CCCC=3F)C1
InChIInChI=1S/C15H21FN2/c1-11(2)17-8-6-12(10-17)18-9-7-13-14(16)4-3-5-15(13)18/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyNYIWKGVCEKSHIW-UHFFFAOYSA-N
XLogP1.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole?
The IUPAC name of 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole (CID 168939762) is 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole.
What is the SMILES notation for 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole?
The canonical SMILES for 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole is CC(C)N1CCC(n2ccc3c2=CCCC=3F)C1.
What is the InChIKey of 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole?
The InChIKey is NYIWKGVCEKSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11(2)17-8-6-12(10-17)18-9-7-13-14(16)4-3-5-15(13)18/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3.
What are the key properties of 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole?
4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole has a molecular weight of 248.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole is sourced from PubChem (CID 168939762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).