2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole

C8H9F3N2O — CID 90030343

IUPAC2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCC1(c2ncc(C(F)(F)F)[nH]2)COC1
InChIInChI=1S/C8H9F3N2O/c1-7(3-14-4-7)6-12-2-5(13-6)8(9,10)11/h2H,3-4H2,1H3,(H,12,13)
InChIKeyBBGPGGDNQANTJN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.72
Rot. Bonds1

About 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole

2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 90030343) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID90030343
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCC1(c2ncc(C(F)(F)F)[nH]2)COC1
InChIInChI=1S/C8H9F3N2O/c1-7(3-14-4-7)6-12-2-5(13-6)8(9,10)11/h2H,3-4H2,1H3,(H,12,13)
InChIKeyBBGPGGDNQANTJN-UHFFFAOYSA-N
XLogP1.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole (CID 90030343) is 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole is CC1(c2ncc(C(F)(F)F)[nH]2)COC1.
What is the InChIKey of 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is BBGPGGDNQANTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-7(3-14-4-7)6-12-2-5(13-6)8(9,10)11/h2H,3-4H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 206.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 90030343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).