N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C10H19F3N2 — CID 116679797

IUPACN-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CNC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)4-3-9-5-14-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyHJXRXWNJKPXJCS-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 116679797) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID116679797
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCC1CNC1)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)4-3-9-5-14-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyHJXRXWNJKPXJCS-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 116679797) is N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CCC1CNC1)CC(F)(F)F.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is HJXRXWNJKPXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)15(7-10(11,12)13)4-3-9-5-14-6-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 116679797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).