3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane

C11H19FN2 — CID 177005460

IUPAC3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane
SMILESFC1CN(CC2CCC23CCNC3)C1
InChIInChI=1S/C11H19FN2/c12-10-6-14(7-10)5-9-1-2-11(9)3-4-13-8-11/h9-10,13H,1-8H2
InChIKeyMTOVBPANZNFYSD-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.03
Rot. Bonds2

About 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane

3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane (PubChem CID 177005460) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane
PubChem CID177005460
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane
SMILESFC1CN(CC2CCC23CCNC3)C1
InChIInChI=1S/C11H19FN2/c12-10-6-14(7-10)5-9-1-2-11(9)3-4-13-8-11/h9-10,13H,1-8H2
InChIKeyMTOVBPANZNFYSD-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane?
The IUPAC name of 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane (CID 177005460) is 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane?
The canonical SMILES for 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane is FC1CN(CC2CCC23CCNC3)C1.
What is the InChIKey of 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane?
The InChIKey is MTOVBPANZNFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c12-10-6-14(7-10)5-9-1-2-11(9)3-4-13-8-11/h9-10,13H,1-8H2.
What are the key properties of 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane?
3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane has a molecular weight of 198.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoroazetidin-1-yl)methyl]-6-azaspiro[3.4]octane is sourced from PubChem (CID 177005460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).