5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole

C6H7F3N2O — CID 152974104

IUPAC5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
SMILESCOC(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-12-5(6(7,8)9)4-2-10-3-11-4/h2-3,5H,1H3,(H,10,11)
InChIKeyUTBGRXCCDJCBLW-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.66
Rot. Bonds2

About 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole

5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole (PubChem CID 152974104) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
PubChem CID152974104
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole
SMILESCOC(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-12-5(6(7,8)9)4-2-10-3-11-4/h2-3,5H,1H3,(H,10,11)
InChIKeyUTBGRXCCDJCBLW-UHFFFAOYSA-N
XLogP1.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10773349
[(2S,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820929
1-(1H-imidazol-4-yl)ethan-1-ol hydrochloride
CID 12344798
4-(methoxymethyl)-1H-imidazole
CID 21401481
[(2S,5R)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10702196
[(2R,5S)-5-(1H-imidazol-5-yl)-2,5-dihydrofuran-2-yl]methanamine
CID 10820930
4(5)-(2-Amino-1-hydroxyethyl)imidazole
CID 148046
1-(1H-imidazol-5-yl)ethanol
CID 12344797
(1S)-1-(1H-imidazol-4-yl)ethan-1-ol hydrochloride
CID 137944338
Ethoxymethyl-2-methylimidazole
CID 117191588
Imidazole, 4-[1,1-dimethoxy-2-bromo-2,2-fluoroethyl]-
CID 588042
Imidazole, 4-[1,1-dimethoxy-2,2,2-trifluoroethyl]-
CID 588044

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The IUPAC name of 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole (CID 152974104) is 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The canonical SMILES for 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole is COC(c1cnc[nH]1)C(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
The InChIKey is UTBGRXCCDJCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-12-5(6(7,8)9)4-2-10-3-11-4/h2-3,5H,1H3,(H,10,11).
What are the key properties of 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole?
5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole has a molecular weight of 180.13 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoro-1-methoxyethyl)-1H-imidazole is sourced from PubChem (CID 152974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).