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

C10H16F3N3O — CID 106721198

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-8(14)4-9-5-16(7-15-9)2-3-17-6-10(11,12)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyDHNDRGLHHYYTBY-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.35
Rot. Bonds6

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

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721198) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
PubChem CID106721198
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-8(14)4-9-5-16(7-15-9)2-3-17-6-10(11,12)13/h5,7-8H,2-4,6,14H2,1H3
InChIKeyDHNDRGLHHYYTBY-UHFFFAOYSA-N
XLogP1.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.35
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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Related Compounds

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
4-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
CID 106720831
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114203731
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
CID 55181651
formic acid;(2R)-1-[1-[(2-methylpropan-2-yl)oxymethyl]imidazol-4-yl]propan-2-amine
CID 142605021

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine (CID 106721198) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCOCC(F)(F)F)cn1.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine?
The InChIKey is DHNDRGLHHYYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(14)4-9-5-16(7-15-9)2-3-17-6-10(11,12)13/h5,7-8H,2-4,6,14H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).