3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole

C13H15FN2 — CID 169286676

IUPAC3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
SMILESFc1ccc2c(CCN3CCC3)c[nH]c2c1
InChIInChI=1S/C13H15FN2/c14-11-2-3-12-10(9-15-13(12)8-11)4-7-16-5-1-6-16/h2-3,8-9,15H,1,4-7H2
InChIKeyZNGNMEBGGKNVAY-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole

3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole (PubChem CID 169286676) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
PubChem CID169286676
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
SMILESFc1ccc2c(CCN3CCC3)c[nH]c2c1
InChIInChI=1S/C13H15FN2/c14-11-2-3-12-10(9-15-13(12)8-11)4-7-16-5-1-6-16/h2-3,8-9,15H,1,4-7H2
InChIKeyZNGNMEBGGKNVAY-UHFFFAOYSA-N
XLogP2.56
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111888114
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111888512
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
CID 22462300
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole (CID 169286676) is 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole is Fc1ccc2c(CCN3CCC3)c[nH]c2c1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole?
The InChIKey is ZNGNMEBGGKNVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-2-3-12-10(9-15-13(12)8-11)4-7-16-5-1-6-16/h2-3,8-9,15H,1,4-7H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole?
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole has a molecular weight of 218.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole is sourced from PubChem (CID 169286676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).