1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine

C11H18F3N3O — CID 106721209

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-9(15)5-10-6-17(8-16-10)3-2-4-18-7-11(12,13)14/h6,8-9H,2-5,7,15H2,1H3
InChIKeyNHXKVAYYXPKJEE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.74
Rot. Bonds7

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721209) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
PubChem CID106721209
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H18F3N3O/c1-9(15)5-10-6-17(8-16-10)3-2-4-18-7-11(12,13)14/h6,8-9H,2-5,7,15H2,1H3
InChIKeyNHXKVAYYXPKJEE-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine (CID 106721209) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCCOCC(F)(F)F)cn1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine?
The InChIKey is NHXKVAYYXPKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(15)5-10-6-17(8-16-10)3-2-4-18-7-11(12,13)14/h6,8-9H,2-5,7,15H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).