1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C16H16F3NO — CID 82711880

IUPAC1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-12(20-21-11-16(17,18)19)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeyVTSDOWURFUNXIL-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711880) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711880
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16F3NO/c1-12(20-21-11-16(17,18)19)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
InChIKeyVTSDOWURFUNXIL-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711880) is 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VTSDOWURFUNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-12(20-21-11-16(17,18)19)13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).