1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole

C6H4F6N2O — CID 24880291

IUPAC1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole
SMILESFC(OC(F)(F)F)C(F)(F)n1ccnc1
InChIInChI=1S/C6H4F6N2O/c7-4(15-6(10,11)12)5(8,9)14-2-1-13-3-14/h1-4H
InChIKeyTYBWWMPZQKTXSM-UHFFFAOYSA-N
MW234.10 g/mol
LogP2.26
Rot. Bonds3

About 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole

1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole (PubChem CID 24880291) has the molecular formula C6H4F6N2O and a molecular weight of 234.10 g/mol. Its IUPAC name is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole
PubChem CID24880291
Molecular FormulaC6H4F6N2O
Molecular Weight234.10 g/mol
Exact Mass234.02
IUPAC Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole
SMILESFC(OC(F)(F)F)C(F)(F)n1ccnc1
InChIInChI=1S/C6H4F6N2O/c7-4(15-6(10,11)12)5(8,9)14-2-1-13-3-14/h1-4H
InChIKeyTYBWWMPZQKTXSM-UHFFFAOYSA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate
CID 11344909
N-(2-Hydroxyethyl)imidazole
CID 74168
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CID 7063912
1-(2-Hydroxyethyl)-3-methylimidazolium chloride
CID 11499271
Nsc-747123
CID 12040511
1-(trifluoromethyl)-1H-imidazole
CID 12899028
1-(Difluoromethyl)-1H-imidazole
CID 13250069
1-(2-methoxyethyl)-1H-imidazole
CID 14366840
1-(2,2,2-trifluoroethyl)-1H-imidazole
CID 13288518
2-(methoxymethyl)-1-methyl-1H-imidazole
CID 19848332
(1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)methanol
CID 22938562
1-(2-Hydroxyethyl)-3-methylimidazolium
CID 11184839

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole?
The IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole (CID 24880291) is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole.
What is the SMILES notation for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole?
The canonical SMILES for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole is FC(OC(F)(F)F)C(F)(F)n1ccnc1.
What is the InChIKey of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole?
The InChIKey is TYBWWMPZQKTXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2O/c7-4(15-6(10,11)12)5(8,9)14-2-1-13-3-14/h1-4H.
What are the key properties of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole?
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole has a molecular weight of 234.10 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]imidazole is sourced from PubChem (CID 24880291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).