3-fluoro-3-(oxan-4-yl)azetidine

C8H14FNO — CID 112563400

IUPAC3-fluoro-3-(oxan-4-yl)azetidine
SMILESFC1(C2CCOCC2)CNC1
InChIInChI=1S/C8H14FNO/c9-8(5-10-6-8)7-1-3-11-4-2-7/h7,10H,1-6H2
InChIKeyHIQQRKZPHVAGSQ-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.72
Rot. Bonds1

About 3-fluoro-3-(oxan-4-yl)azetidine

3-fluoro-3-(oxan-4-yl)azetidine (PubChem CID 112563400) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-4-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-4-yl)azetidine
PubChem CID112563400
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-3-(oxan-4-yl)azetidine
SMILESFC1(C2CCOCC2)CNC1
InChIInChI=1S/C8H14FNO/c9-8(5-10-6-8)7-1-3-11-4-2-7/h7,10H,1-6H2
InChIKeyHIQQRKZPHVAGSQ-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-4-yl)azetidine?
The IUPAC name of 3-fluoro-3-(oxan-4-yl)azetidine (CID 112563400) is 3-fluoro-3-(oxan-4-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(oxan-4-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(oxan-4-yl)azetidine is FC1(C2CCOCC2)CNC1.
What is the InChIKey of 3-fluoro-3-(oxan-4-yl)azetidine?
The InChIKey is HIQQRKZPHVAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-8(5-10-6-8)7-1-3-11-4-2-7/h7,10H,1-6H2.
What are the key properties of 3-fluoro-3-(oxan-4-yl)azetidine?
3-fluoro-3-(oxan-4-yl)azetidine has a molecular weight of 159.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-4-yl)azetidine is sourced from PubChem (CID 112563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).