1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

C10H16F3N3O — CID 54962119

IUPAC1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-9(6-16-4-2-14-8-16)15-3-5-17-7-10(11,12)13/h2,4,8-9,15H,3,5-7H2,1H3
InChIKeyJYHFVVZSSYLAMQ-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.44
Rot. Bonds7

About 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 54962119) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID54962119
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-9(6-16-4-2-14-8-16)15-3-5-17-7-10(11,12)13/h2,4,8-9,15H,3,5-7H2,1H3
InChIKeyJYHFVVZSSYLAMQ-UHFFFAOYSA-N
XLogP1.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.44
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-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 54962119) is 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(Cn1ccnc1)NCCOCC(F)(F)F.
What is the InChIKey of 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is JYHFVVZSSYLAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-9(6-16-4-2-14-8-16)15-3-5-17-7-10(11,12)13/h2,4,8-9,15H,3,5-7H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 54962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).