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

C11H10F3N3 — CID 104942944

IUPAC(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N3/c1-6(15)10-4-16-5-17(10)7-2-8(12)11(14)9(13)3-7/h2-6H,15H2,1H3/t6-/m1/s1
InChIKeyFRIWSZYWTJKSRT-ZCFIWIBFSA-N
MW241.22 g/mol
LogP2.31
Rot. Bonds2

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

(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104942944) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
PubChem CID104942944
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N3/c1-6(15)10-4-16-5-17(10)7-2-8(12)11(14)9(13)3-7/h2-6H,15H2,1H3/t6-/m1/s1
InChIKeyFRIWSZYWTJKSRT-ZCFIWIBFSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine (CID 104942944) is (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is FRIWSZYWTJKSRT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-6(15)10-4-16-5-17(10)7-2-8(12)11(14)9(13)3-7/h2-6H,15H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 241.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).