(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine

C7H10F3N3 — CID 104941818

IUPAC(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5(11)6-2-12-4-13(6)3-7(8,9)10/h2,4-5H,3,11H2,1H3/t5-/m1/s1
InChIKeyRMOQWSBJPBFMGQ-RXMQYKEDSA-N
MW193.17 g/mol
LogP1.47
Rot. Bonds2

About (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine (PubChem CID 104941818) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
PubChem CID104941818
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-5(11)6-2-12-4-13(6)3-7(8,9)10/h2,4-5H,3,11H2,1H3/t5-/m1/s1
InChIKeyRMOQWSBJPBFMGQ-RXMQYKEDSA-N
XLogP1.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114707509
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
CID 104985229
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine (CID 104941818) is (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1CC(F)(F)F.
What is the InChIKey of (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The InChIKey is RMOQWSBJPBFMGQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-5(11)6-2-12-4-13(6)3-7(8,9)10/h2,4-5H,3,11H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine has a molecular weight of 193.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).