2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine

C13H16F3NO — CID 103273003

IUPAC2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine
SMILESNCCC1(Oc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-2-4-11(5-3-10)18-12(8-9-17)6-1-7-12/h2-5H,1,6-9,17H2
InChIKeyLOPDZOBLGRGOJV-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.36
Rot. Bonds4

About 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine

2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine (PubChem CID 103273003) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine
PubChem CID103273003
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine
SMILESNCCC1(Oc2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-2-4-11(5-3-10)18-12(8-9-17)6-1-7-12/h2-5H,1,6-9,17H2
InChIKeyLOPDZOBLGRGOJV-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine (CID 103273003) is 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine is NCCC1(Oc2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine?
The InChIKey is LOPDZOBLGRGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)10-2-4-11(5-3-10)18-12(8-9-17)6-1-7-12/h2-5H,1,6-9,17H2.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine?
2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine has a molecular weight of 259.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenoxy]cyclobutyl]ethanamine is sourced from PubChem (CID 103273003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).