1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine

C11H13ClF3NO — CID 82710891

IUPAC1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NO/c1-2-10(16-17-7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3
InChIKeyULJKWKDVVGWNPG-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine

1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82710891) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82710891
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCC(NOCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NO/c1-2-10(16-17-7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3
InChIKeyULJKWKDVVGWNPG-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.87
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-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82710891) is 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine is CCC(NOCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ULJKWKDVVGWNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-2-10(16-17-7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.68 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 82710891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).