N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine

C9H17FN2O — CID 166157699

IUPACN-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine
SMILESCN(F)C1CN(C2CCOCC2)C1
InChIInChI=1S/C9H17FN2O/c1-11(10)9-6-12(7-9)8-2-4-13-5-3-8/h8-9H,2-7H2,1H3
InChIKeyYLXHESHEYKNBEN-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.67
Rot. Bonds2

About N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine

N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine (PubChem CID 166157699) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine
PubChem CID166157699
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine
SMILESCN(F)C1CN(C2CCOCC2)C1
InChIInChI=1S/C9H17FN2O/c1-11(10)9-6-12(7-9)8-2-4-13-5-3-8/h8-9H,2-7H2,1H3
InChIKeyYLXHESHEYKNBEN-UHFFFAOYSA-N
XLogP0.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine?
The IUPAC name of N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine (CID 166157699) is N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine.
What is the SMILES notation for N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine?
The canonical SMILES for N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine is CN(F)C1CN(C2CCOCC2)C1.
What is the InChIKey of N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine?
The InChIKey is YLXHESHEYKNBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-11(10)9-6-12(7-9)8-2-4-13-5-3-8/h8-9H,2-7H2,1H3.
What are the key properties of N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine?
N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine has a molecular weight of 188.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methyl-1-(oxan-4-yl)azetidin-3-amine is sourced from PubChem (CID 166157699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).