N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine

C10H18F3NO — CID 103273033

IUPACN-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(OCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-7-6-9(4-3-5-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyHTUMQLYRUYBJPF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds6

About N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine

N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine (PubChem CID 103273033) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine
PubChem CID103273033
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(OCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c1-2-14-7-6-9(4-3-5-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyHTUMQLYRUYBJPF-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine (CID 103273033) is N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine is CCNCCC1(OCC(F)(F)F)CCC1.
What is the InChIKey of N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine?
The InChIKey is HTUMQLYRUYBJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-7-6-9(4-3-5-9)15-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine?
N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103273033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).