3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

C13H24FNO — CID 170255770

IUPAC3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC(C)(C)OC1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-13(2,3)16-12-6-4-11(5-7-12)15-8-10(14)9-15/h10-12H,4-9H2,1-3H3
InChIKeyOODFVIPPACFOJB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds2

About 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (PubChem CID 170255770) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
PubChem CID170255770
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC(C)(C)OC1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C13H24FNO/c1-13(2,3)16-12-6-4-11(5-7-12)15-8-10(14)9-15/h10-12H,4-9H2,1-3H3
InChIKeyOODFVIPPACFOJB-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The IUPAC name of 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (CID 170255770) is 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The canonical SMILES for 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is CC(C)(C)OC1CCC(N2CC(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The InChIKey is OODFVIPPACFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(2,3)16-12-6-4-11(5-7-12)15-8-10(14)9-15/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is sourced from PubChem (CID 170255770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).