N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine

C11H20F3NO — CID 103274393

IUPACN-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-2-15-8-6-10(4-3-5-10)16-9-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyJRVGEQHOEOIBMA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds7

About N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine

N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine (PubChem CID 103274393) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
PubChem CID103274393
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C11H20F3NO/c1-2-15-8-6-10(4-3-5-10)16-9-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyJRVGEQHOEOIBMA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
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-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine (CID 103274393) is N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine is CCNCCC1(OCCC(F)(F)F)CCC1.
What is the InChIKey of N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
The InChIKey is JRVGEQHOEOIBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-15-8-6-10(4-3-5-10)16-9-7-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine?
N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).