1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C10H10Cl2F3NO — CID 82711356

IUPAC1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2F3NO/c1-6(16-17-5-10(13,14)15)7-2-3-8(11)9(12)4-7/h2-4,6,16H,5H2,1H3
InChIKeyLOZUITXYWNKRNW-UHFFFAOYSA-N
MW288.10 g/mol
LogP4.14
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711356) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711356
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2F3NO/c1-6(16-17-5-10(13,14)15)7-2-3-8(11)9(12)4-7/h2-4,6,16H,5H2,1H3
InChIKeyLOZUITXYWNKRNW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 54.14
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-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711356) is 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is LOZUITXYWNKRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c1-6(16-17-5-10(13,14)15)7-2-3-8(11)9(12)4-7/h2-4,6,16H,5H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 288.10 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).