7-fluoro-1-(1-methylazetidin-3-yl)indole

C12H13FN2 — CID 168939765

IUPAC7-fluoro-1-(1-methylazetidin-3-yl)indole
SMILESCN1CC(n2ccc3cccc(F)c32)C1
InChIInChI=1S/C12H13FN2/c1-14-7-10(8-14)15-6-5-9-3-2-4-11(13)12(9)15/h2-6,10H,7-8H2,1H3
InChIKeyVBEQFYLCTIJKMH-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.27
Rot. Bonds1

About 7-fluoro-1-(1-methylazetidin-3-yl)indole

7-fluoro-1-(1-methylazetidin-3-yl)indole (PubChem CID 168939765) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 7-fluoro-1-(1-methylazetidin-3-yl)indole.

Molecular Properties

Compound Name7-fluoro-1-(1-methylazetidin-3-yl)indole
PubChem CID168939765
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name7-fluoro-1-(1-methylazetidin-3-yl)indole
SMILESCN1CC(n2ccc3cccc(F)c32)C1
InChIInChI=1S/C12H13FN2/c1-14-7-10(8-14)15-6-5-9-3-2-4-11(13)12(9)15/h2-6,10H,7-8H2,1H3
InChIKeyVBEQFYLCTIJKMH-UHFFFAOYSA-N
XLogP2.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(1-methylazetidin-3-yl)indole?
The IUPAC name of 7-fluoro-1-(1-methylazetidin-3-yl)indole (CID 168939765) is 7-fluoro-1-(1-methylazetidin-3-yl)indole.
What is the SMILES notation for 7-fluoro-1-(1-methylazetidin-3-yl)indole?
The canonical SMILES for 7-fluoro-1-(1-methylazetidin-3-yl)indole is CN1CC(n2ccc3cccc(F)c32)C1.
What is the InChIKey of 7-fluoro-1-(1-methylazetidin-3-yl)indole?
The InChIKey is VBEQFYLCTIJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-14-7-10(8-14)15-6-5-9-3-2-4-11(13)12(9)15/h2-6,10H,7-8H2,1H3.
What are the key properties of 7-fluoro-1-(1-methylazetidin-3-yl)indole?
7-fluoro-1-(1-methylazetidin-3-yl)indole has a molecular weight of 204.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(1-methylazetidin-3-yl)indole is sourced from PubChem (CID 168939765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).