1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine

C10H12F3NO — CID 67504450

IUPAC1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(N)(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c1-9(14,15-7-10(11,12)13)8-5-3-2-4-6-8/h2-6H,7,14H2,1H3
InChIKeyLHLGYVQHCPQJCL-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.40
Rot. Bonds3

About 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine

1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 67504450) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID67504450
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(N)(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3NO/c1-9(14,15-7-10(11,12)13)8-5-3-2-4-6-8/h2-6H,7,14H2,1H3
InChIKeyLHLGYVQHCPQJCL-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine (CID 67504450) is 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine is CC(N)(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is LHLGYVQHCPQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-9(14,15-7-10(11,12)13)8-5-3-2-4-6-8/h2-6H,7,14H2,1H3.
What are the key properties of 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine?
1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 67504450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).