N-ethyl-3-(trifluoromethyl)azetidin-3-amine

C6H11F3N2 — CID 167306022

IUPACN-ethyl-3-(trifluoromethyl)azetidin-3-amine
SMILESCCNC1(C(F)(F)F)CNC1
InChIInChI=1S/C6H11F3N2/c1-2-11-5(3-10-4-5)6(7,8)9/h10-11H,2-4H2,1H3
InChIKeyPZRFJSZOWXMMEU-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.50
Rot. Bonds2

About N-ethyl-3-(trifluoromethyl)azetidin-3-amine

N-ethyl-3-(trifluoromethyl)azetidin-3-amine (PubChem CID 167306022) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)azetidin-3-amine
PubChem CID167306022
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC NameN-ethyl-3-(trifluoromethyl)azetidin-3-amine
SMILESCCNC1(C(F)(F)F)CNC1
InChIInChI=1S/C6H11F3N2/c1-2-11-5(3-10-4-5)6(7,8)9/h10-11H,2-4H2,1H3
InChIKeyPZRFJSZOWXMMEU-UHFFFAOYSA-N
XLogP0.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethyl)azetidin-3-amine?
The IUPAC name of N-ethyl-3-(trifluoromethyl)azetidin-3-amine (CID 167306022) is N-ethyl-3-(trifluoromethyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)azetidin-3-amine is CCNC1(C(F)(F)F)CNC1.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)azetidin-3-amine?
The InChIKey is PZRFJSZOWXMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-2-11-5(3-10-4-5)6(7,8)9/h10-11H,2-4H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethyl)azetidin-3-amine?
N-ethyl-3-(trifluoromethyl)azetidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)azetidin-3-amine is sourced from PubChem (CID 167306022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).