2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole

C9H11F3N2O — CID 170722463

IUPAC2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(CC2CCOC2)[nH]1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-4-13-8(14-7)3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,13,14)
InChIKeyCATKZYNECPMIEO-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.01
Rot. Bonds2

About 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole

2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 170722463) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID170722463
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1cnc(CC2CCOC2)[nH]1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-4-13-8(14-7)3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,13,14)
InChIKeyCATKZYNECPMIEO-UHFFFAOYSA-N
XLogP2.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
CID 60867130
2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415479
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethanamine;hydrochloride
CID 71283927
3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
CID 116881149
4-(chloromethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886289
2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136886266
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415488
5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986007
trimethyl-[2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methoxy]ethyl]silane
CID 123459953
[(3R,6S)-6-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methylcarbamoyl]oxan-3-yl]carbamic acid
CID 155093295

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole (CID 170722463) is 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1cnc(CC2CCOC2)[nH]1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is CATKZYNECPMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-4-13-8(14-7)3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H,13,14).
What are the key properties of 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole?
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 220.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 170722463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).