5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole

C9H11F3N6 — CID 71879432

IUPAC5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole
SMILESCCc1nnnn1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C9H11F3N6/c1-2-7-14-15-16-18(7)5-8-13-3-4-17(8)6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyXEFCPWRPDHJKNR-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.04
Rot. Bonds4

About 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole

5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole (PubChem CID 71879432) has the molecular formula C9H11F3N6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole.

Molecular Properties

Compound Name5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole
PubChem CID71879432
Molecular FormulaC9H11F3N6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole
SMILESCCc1nnnn1Cc1nccn1CC(F)(F)F
InChIInChI=1S/C9H11F3N6/c1-2-7-14-15-16-18(7)5-8-13-3-4-17(8)6-9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyXEFCPWRPDHJKNR-UHFFFAOYSA-N
XLogP1.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Tetrazole, 5-((1-methyl-1H-imidazol-2-yl)methyl)-
CID 3048689
1,1'-Dimethyl-1H,1'H-2,2'-biimidazole
CID 10123778
bis(N-methylimidazole-2-yl)methane
CID 10080906
2-Propyl-1-[3-(2-propylimidazol-1-yl)propyl]imidazole
CID 44139806
5-[(1-Methylimidazol-2-yl)sulfanylmethyl]-1-propyltetrazole
CID 45848774
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53590281
N,N-dimethyl-2-(1'-propyl-1H,1'H-2,2'-biimidazol-1-yl)ethanamine
CID 56869435
1-propyl-1'-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H,1'H-2,2'-biimidazole
CID 70750230
1-Methyl-2-[2-(1-methylimidazol-2-yl)ethynyl]imidazole
CID 5063462
1H-Imidazole, 1,1'-methylenebis[2-methyl-
CID 9855617
1-Butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole
CID 67973130
1-Butyl-2-(1-ethyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
CID 90831327

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole?
The IUPAC name of 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole (CID 71879432) is 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole.
What is the SMILES notation for 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole?
The canonical SMILES for 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole is CCc1nnnn1Cc1nccn1CC(F)(F)F.
What is the InChIKey of 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole?
The InChIKey is XEFCPWRPDHJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6/c1-2-7-14-15-16-18(7)5-8-13-3-4-17(8)6-9(10,11)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole?
5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole has a molecular weight of 260.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole is sourced from PubChem (CID 71879432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).