[4-(trifluoromethylperoxy)phenyl]methanamine

C8H8F3NO2 — CID 150309144

IUPAC[4-(trifluoromethylperoxy)phenyl]methanamine
SMILESNCc1ccc(OOC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyGLFWXHWPVFPEMP-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.98
Rot. Bonds3

About [4-(trifluoromethylperoxy)phenyl]methanamine

[4-(trifluoromethylperoxy)phenyl]methanamine (PubChem CID 150309144) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [4-(trifluoromethylperoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethylperoxy)phenyl]methanamine
PubChem CID150309144
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[4-(trifluoromethylperoxy)phenyl]methanamine
SMILESNCc1ccc(OOC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKeyGLFWXHWPVFPEMP-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylperoxy)phenyl]methanamine?
The IUPAC name of [4-(trifluoromethylperoxy)phenyl]methanamine (CID 150309144) is [4-(trifluoromethylperoxy)phenyl]methanamine.
What is the SMILES notation for [4-(trifluoromethylperoxy)phenyl]methanamine?
The canonical SMILES for [4-(trifluoromethylperoxy)phenyl]methanamine is NCc1ccc(OOC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylperoxy)phenyl]methanamine?
The InChIKey is GLFWXHWPVFPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)14-13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2.
What are the key properties of [4-(trifluoromethylperoxy)phenyl]methanamine?
[4-(trifluoromethylperoxy)phenyl]methanamine has a molecular weight of 207.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylperoxy)phenyl]methanamine is sourced from PubChem (CID 150309144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).