3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine

C13H22FNO — CID 112563338

IUPAC3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine
SMILESFC1(C2CCOC3(CCCCC3)C2)CNC1
InChIInChI=1S/C13H22FNO/c14-13(9-15-10-13)11-4-7-16-12(8-11)5-2-1-3-6-12/h11,15H,1-10H2
InChIKeyGESCPAVCUULFIB-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.43
Rot. Bonds1

About 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine

3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine (PubChem CID 112563338) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine
PubChem CID112563338
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine
SMILESFC1(C2CCOC3(CCCCC3)C2)CNC1
InChIInChI=1S/C13H22FNO/c14-13(9-15-10-13)11-4-7-16-12(8-11)5-2-1-3-6-12/h11,15H,1-10H2
InChIKeyGESCPAVCUULFIB-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine?
The IUPAC name of 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine (CID 112563338) is 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine is FC1(C2CCOC3(CCCCC3)C2)CNC1.
What is the InChIKey of 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine?
The InChIKey is GESCPAVCUULFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-13(9-15-10-13)11-4-7-16-12(8-11)5-2-1-3-6-12/h11,15H,1-10H2.
What are the key properties of 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine?
3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine has a molecular weight of 227.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-oxaspiro[5.5]undecan-4-yl)azetidine is sourced from PubChem (CID 112563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).