1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H12F3N3O — CID 103215332

IUPAC1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ccnc1C(N)COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-3-2-13-7(14)6(12)4-15-5-8(9,10)11/h2-3,6H,4-5,12H2,1H3
InChIKeyVWNJLRJAXMLNHH-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.00
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215332) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215332
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ccnc1C(N)COCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-3-2-13-7(14)6(12)4-15-5-8(9,10)11/h2-3,6H,4-5,12H2,1H3
InChIKeyVWNJLRJAXMLNHH-UHFFFAOYSA-N
XLogP1.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217822
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770
N-methyl-1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475583
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215332) is 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cn1ccnc1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VWNJLRJAXMLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-3-2-13-7(14)6(12)4-15-5-8(9,10)11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).