1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine

C7H13F3N2O — CID 63761124

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine
SMILESNC1CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-13-2-1-12-3-6(11)4-12/h6H,1-5,11H2
InChIKeyKEIOYVVYIBBUFY-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.21
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine

1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine (PubChem CID 63761124) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine
PubChem CID63761124
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine
SMILESNC1CN(CCOCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-13-2-1-12-3-6(11)4-12/h6H,1-5,11H2
InChIKeyKEIOYVVYIBBUFY-UHFFFAOYSA-N
XLogP0.21
TPSA38.49 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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine (CID 63761124) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine is NC1CN(CCOCC(F)(F)F)C1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine?
The InChIKey is KEIOYVVYIBBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)5-13-2-1-12-3-6(11)4-12/h6H,1-5,11H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine has a molecular weight of 198.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-amine is sourced from PubChem (CID 63761124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).