3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine

C11H18FN — CID 122240292

IUPAC3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine
SMILESFC1(CC2CC3(CCC3)C2)CNC1
InChIInChI=1S/C11H18FN/c12-11(7-13-8-11)6-9-4-10(5-9)2-1-3-10/h9,13H,1-8H2
InChIKeyGZAONGYILUVDII-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.27
Rot. Bonds2

About 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine

3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine (PubChem CID 122240292) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine
PubChem CID122240292
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine
SMILESFC1(CC2CC3(CCC3)C2)CNC1
InChIInChI=1S/C11H18FN/c12-11(7-13-8-11)6-9-4-10(5-9)2-1-3-10/h9,13H,1-8H2
InChIKeyGZAONGYILUVDII-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine?
The IUPAC name of 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine (CID 122240292) is 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine is FC1(CC2CC3(CCC3)C2)CNC1.
What is the InChIKey of 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine?
The InChIKey is GZAONGYILUVDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c12-11(7-13-8-11)6-9-4-10(5-9)2-1-3-10/h9,13H,1-8H2.
What are the key properties of 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine?
3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine has a molecular weight of 183.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(spiro[3.3]heptan-2-ylmethyl)azetidine is sourced from PubChem (CID 122240292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).