6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole

C11H9F3N2O — CID 116875889

IUPAC6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
SMILESFC(F)(F)C1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10(4-17-5-10)7-1-2-8-9(3-7)16-6-15-8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyBOGAJJJCUQYGMH-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.39
Rot. Bonds1

About 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole

6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole (PubChem CID 116875889) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
PubChem CID116875889
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
SMILESFC(F)(F)C1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10(4-17-5-10)7-1-2-8-9(3-7)16-6-15-8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyBOGAJJJCUQYGMH-UHFFFAOYSA-N
XLogP2.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
5-[3-(trifluoromethyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116875894
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
CID 116841726
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
6-(2-methylpiperazin-2-yl)-1H-benzimidazole
CID 116856328
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83711577
3-[amino(3H-benzimidazol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944526
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole?
The IUPAC name of 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole (CID 116875889) is 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole is FC(F)(F)C1(c2ccc3nc[nH]c3c2)COC1.
What is the InChIKey of 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole?
The InChIKey is BOGAJJJCUQYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10(4-17-5-10)7-1-2-8-9(3-7)16-6-15-8/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole?
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole has a molecular weight of 242.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole is sourced from PubChem (CID 116875889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).