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

C9H17F3N2O — CID 66215100

IUPACN-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
SMILESCCCN(CCOC(F)(F)F)C1CNC1
InChIInChI=1S/C9H17F3N2O/c1-2-3-14(8-6-13-7-8)4-5-15-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyAVLFSGGACFFYTQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.21
Rot. Bonds6

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

N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine (PubChem CID 66215100) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
PubChem CID66215100
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine
SMILESCCCN(CCOC(F)(F)F)C1CNC1
InChIInChI=1S/C9H17F3N2O/c1-2-3-14(8-6-13-7-8)4-5-15-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyAVLFSGGACFFYTQ-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The IUPAC name of N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine (CID 66215100) is N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine.
What is the SMILES notation for N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The canonical SMILES for N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine is CCCN(CCOC(F)(F)F)C1CNC1.
What is the InChIKey of N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
The InChIKey is AVLFSGGACFFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-3-14(8-6-13-7-8)4-5-15-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine?
N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine has a molecular weight of 226.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(trifluoromethoxy)ethyl]azetidin-3-amine is sourced from PubChem (CID 66215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).