3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione

C10H13F3N2S — CID 44558360

IUPAC3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
SMILESFC(F)(F)C1CCCCC1n1cc[nH]c1=S
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h5-8H,1-4H2,(H,14,16)
InChIKeyYEAXIYCLLJCXLM-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.84
Rot. Bonds1

About 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione

3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione (PubChem CID 44558360) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
PubChem CID44558360
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
SMILESFC(F)(F)C1CCCCC1n1cc[nH]c1=S
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h5-8H,1-4H2,(H,14,16)
InChIKeyYEAXIYCLLJCXLM-UHFFFAOYSA-N
XLogP3.84
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558354
3-[3-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione
CID 44558357
3-(4,4-difluorocyclohexyl)-1H-imidazole-2-thione
CID 131165920
1-{6,6-Difluorobicyclo[3.1.0]hexan-3-yl}-1h-imidazole-2-thiol
CID 164655444
3-(4-methylcyclohexyl)-1H-imidazole-2-thione
CID 29062833
3-(cyclohexylmethyl)-1H-imidazole-2-thione
CID 43371600
3-(2-cyclohexylethyl)-1H-imidazole-2-thione
CID 60920964
3-(2-ethylcyclohexyl)-1H-imidazole-2-thione
CID 61470362
3-(4-ethylcyclohexyl)-1H-imidazole-2-thione
CID 61470364
3-(4-propylcyclohexyl)-1H-imidazole-2-thione
CID 61512209
3-(1-cyclohexylethyl)-1H-imidazole-2-thione
CID 62405248
3-(1-cyclohexylpropyl)-1H-imidazole-2-thione
CID 62405249

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione (CID 44558360) is 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione is FC(F)(F)C1CCCCC1n1cc[nH]c1=S.
What is the InChIKey of 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione?
The InChIKey is YEAXIYCLLJCXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h5-8H,1-4H2,(H,14,16).
What are the key properties of 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione?
3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione has a molecular weight of 250.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)cyclohexyl]-1H-imidazole-2-thione is sourced from PubChem (CID 44558360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).