3-(2-fluoropropan-2-yl)azetidine

C6H12FN — CID 84647743

IUPAC3-(2-fluoropropan-2-yl)azetidine
SMILESCC(C)(F)C1CNC1
InChIInChI=1S/C6H12FN/c1-6(2,7)5-3-8-4-5/h5,8H,3-4H2,1-2H3
InChIKeyJJUKATXAIQVQNN-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.95
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)azetidine

3-(2-fluoropropan-2-yl)azetidine (PubChem CID 84647743) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)azetidine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)azetidine
PubChem CID84647743
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-(2-fluoropropan-2-yl)azetidine
SMILESCC(C)(F)C1CNC1
InChIInChI=1S/C6H12FN/c1-6(2,7)5-3-8-4-5/h5,8H,3-4H2,1-2H3
InChIKeyJJUKATXAIQVQNN-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)azetidine?
The IUPAC name of 3-(2-fluoropropan-2-yl)azetidine (CID 84647743) is 3-(2-fluoropropan-2-yl)azetidine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)azetidine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)azetidine is CC(C)(F)C1CNC1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)azetidine?
The InChIKey is JJUKATXAIQVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-6(2,7)5-3-8-4-5/h5,8H,3-4H2,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)azetidine?
3-(2-fluoropropan-2-yl)azetidine has a molecular weight of 117.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)azetidine is sourced from PubChem (CID 84647743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).