2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine

C6H8F3N3 — CID 66116728

IUPAC2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
SMILESCn1cncc1C(N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-12-3-11-2-4(12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChIKeyGNGXYVTXTSNOBW-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.98
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine

2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 66116728) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID66116728
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
SMILESCn1cncc1C(N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-12-3-11-2-4(12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChIKeyGNGXYVTXTSNOBW-UHFFFAOYSA-N
XLogP0.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
CID 66140665
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
4,4,4-trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66116586
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
(3-methylimidazol-4-yl)-pyrazin-2-ylmethanamine
CID 82895949
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
methyl 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66118172

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine (CID 66116728) is 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine is Cn1cncc1C(N)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is GNGXYVTXTSNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12-3-11-2-4(12)5(10)6(7,8)9/h2-3,5H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine?
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 179.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66116728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).