1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine

C10H16F3N3 — CID 114707019

IUPAC1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-8(14)9-6-15-7-16(9)5-3-2-4-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyBURJNCBIFDXJHJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine

1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine (PubChem CID 114707019) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
PubChem CID114707019
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1CCCCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-8(14)9-6-15-7-16(9)5-3-2-4-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyBURJNCBIFDXJHJ-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine (CID 114707019) is 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1CCCCC(F)(F)F.
What is the InChIKey of 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine?
The InChIKey is BURJNCBIFDXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(14)9-6-15-7-16(9)5-3-2-4-10(11,12)13/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine?
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine has a molecular weight of 235.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114707019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).