1-(azetidin-3-yl)-7-fluoroindole;ethane

C13H17FN2 — CID 168939735

IUPAC1-(azetidin-3-yl)-7-fluoroindole;ethane
SMILESCC.Fc1cccc2ccn(C3CNC3)c12
InChIInChI=1S/C11H11FN2.C2H6/c12-10-3-1-2-8-4-5-14(11(8)10)9-6-13-7-9;1-2/h1-5,9,13H,6-7H2;1-2H3
InChIKeyOMONSPKQGOXOHT-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.95
Rot. Bonds1

About 1-(azetidin-3-yl)-7-fluoroindole;ethane

1-(azetidin-3-yl)-7-fluoroindole;ethane (PubChem CID 168939735) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-7-fluoroindole;ethane.

Molecular Properties

Compound Name1-(azetidin-3-yl)-7-fluoroindole;ethane
PubChem CID168939735
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-(azetidin-3-yl)-7-fluoroindole;ethane
SMILESCC.Fc1cccc2ccn(C3CNC3)c12
InChIInChI=1S/C11H11FN2.C2H6/c12-10-3-1-2-8-4-5-14(11(8)10)9-6-13-7-9;1-2/h1-5,9,13H,6-7H2;1-2H3
InChIKeyOMONSPKQGOXOHT-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-1-(1-methylazetidin-3-yl)indole
CID 168939765
7-chloro-1-pyrrolidin-3-ylindole
CID 84751020
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
CID 54248728
7-fluoroindol-1-amine
CID 96636191
7-(azetidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine;ethane
CID 144655005
2-(1-cyclobutylindol-7-yl)ethanamine
CID 115115266
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
1-(1-cyclohexylindol-7-yl)ethanol
CID 117118641
7-chloro-1-(oxan-4-yl)indole
CID 103475403
1-cyclopropyl-7-nitroindole
CID 134940898
7-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 83418423
1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
CID 91812177

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-7-fluoroindole;ethane?
The IUPAC name of 1-(azetidin-3-yl)-7-fluoroindole;ethane (CID 168939735) is 1-(azetidin-3-yl)-7-fluoroindole;ethane.
What is the SMILES notation for 1-(azetidin-3-yl)-7-fluoroindole;ethane?
The canonical SMILES for 1-(azetidin-3-yl)-7-fluoroindole;ethane is CC.Fc1cccc2ccn(C3CNC3)c12.
What is the InChIKey of 1-(azetidin-3-yl)-7-fluoroindole;ethane?
The InChIKey is OMONSPKQGOXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2.C2H6/c12-10-3-1-2-8-4-5-14(11(8)10)9-6-13-7-9;1-2/h1-5,9,13H,6-7H2;1-2H3.
What are the key properties of 1-(azetidin-3-yl)-7-fluoroindole;ethane?
1-(azetidin-3-yl)-7-fluoroindole;ethane has a molecular weight of 220.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-7-fluoroindole;ethane is sourced from PubChem (CID 168939735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).