2-[3-(trifluoromethoxy)cyclobutyl]ethanamine

C7H12F3NO — CID 155103625

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
SMILESNCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-3-5(4-6)1-2-11/h5-6H,1-4,11H2
InChIKeyQTPOSWUTTHGEFO-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine

2-[3-(trifluoromethoxy)cyclobutyl]ethanamine (PubChem CID 155103625) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
PubChem CID155103625
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]ethanamine
SMILESNCCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-3-5(4-6)1-2-11/h5-6H,1-4,11H2
InChIKeyQTPOSWUTTHGEFO-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine (CID 155103625) is 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine is NCCC1CC(OC(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
The InChIKey is QTPOSWUTTHGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-6-3-5(4-6)1-2-11/h5-6H,1-4,11H2.
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine?
2-[3-(trifluoromethoxy)cyclobutyl]ethanamine has a molecular weight of 183.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 155103625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).