1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole

C7H11F3N2 — CID 86219088

IUPAC1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole
SMILESCN1C=CN(CCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2/c1-11-4-5-12(6-11)3-2-7(8,9)10/h4-5H,2-3,6H2,1H3
InChIKeyNBKVMAHRYYJEQV-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole

1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole (PubChem CID 86219088) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole
PubChem CID86219088
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole
SMILESCN1C=CN(CCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2/c1-11-4-5-12(6-11)3-2-7(8,9)10/h4-5H,2-3,6H2,1H3
InChIKeyNBKVMAHRYYJEQV-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-propylimidazolium Bromide
CID 60196377
1-Methyl-3-propylimidazolium chloride
CID 60196378
1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole
CID 59008519
1-Propyl-3-methylimidazole
CID 21917382
3-Butyl-1-trifluoromethylimidazole-2-thione
CID 129793021
1-Vinyl-3-propyl imidazole
CID 123609156
2-fluoro-1,3-dimethyl-2H-imidazole
CID 17776894
1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 21869090
1-methyl-3-(trifluoromethyl)-2H-imidazole
CID 23140770
1-Ethyl-2-fluoro-3-methyl-2,3-dihydro-1H-imidazole
CID 45087417
2,2-Difluoro-1,3-dimethylimidazole
CID 54543701
1-ethyl-3-(2,2,3,3,4,4,5,5-octafluoropentyl)-2H-imidazole
CID 59008520

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole (CID 86219088) is 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole is CN1C=CN(CCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole?
The InChIKey is NBKVMAHRYYJEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-11-4-5-12(6-11)3-2-7(8,9)10/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole?
1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole has a molecular weight of 180.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoropropyl)-2H-imidazole is sourced from PubChem (CID 86219088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).