N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine

C7H13F3N2O — CID 66188305

IUPACN-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
SMILESCN(CCOC(F)(F)F)C1CNC1
InChIInChI=1S/C7H13F3N2O/c1-12(6-4-11-5-6)2-3-13-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyLDJUUCHXBWHCSC-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.43
Rot. Bonds4

About N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine

N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine (PubChem CID 66188305) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
PubChem CID66188305
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
SMILESCN(CCOC(F)(F)F)C1CNC1
InChIInChI=1S/C7H13F3N2O/c1-12(6-4-11-5-6)2-3-13-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyLDJUUCHXBWHCSC-UHFFFAOYSA-N
XLogP0.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine (CID 66188305) is N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine is CN(CCOC(F)(F)F)C1CNC1.
What is the InChIKey of N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The InChIKey is LDJUUCHXBWHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-12(6-4-11-5-6)2-3-13-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine has a molecular weight of 198.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine is sourced from PubChem (CID 66188305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).