3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione

C8H10F2N2S — CID 131196456

IUPAC3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione
SMILESFC1(F)CCCC1n1cc[nH]c1=S
InChIInChI=1S/C8H10F2N2S/c9-8(10)3-1-2-6(8)12-5-4-11-7(12)13/h4-6H,1-3H2,(H,11,13)
InChIKeyJCDQWNJGMBTPCN-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.91
Rot. Bonds1

About 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione

3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione (PubChem CID 131196456) has the molecular formula C8H10F2N2S and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione
PubChem CID131196456
Molecular FormulaC8H10F2N2S
Molecular Weight204.24 g/mol
Exact Mass204.05
IUPAC Name3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione
SMILESFC1(F)CCCC1n1cc[nH]c1=S
InChIInChI=1S/C8H10F2N2S/c9-8(10)3-1-2-6(8)12-5-4-11-7(12)13/h4-6H,1-3H2,(H,11,13)
InChIKeyJCDQWNJGMBTPCN-UHFFFAOYSA-N
XLogP2.91
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.91
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-fluorocyclohexyl)-1H-imidazole-2-thione
CID 44558368
3-(4,4,4-trifluorobutan-2-yl)-1H-imidazole-2-thione
CID 105925725
3-(4,4,4-trifluorobutyl)-1H-imidazole-2-thione
CID 115520776
3-(5,5,5-trifluoropentyl)-1H-imidazole-2-thione
CID 115520777
3-(3,3-difluorocyclopentyl)-4-methyl-1H-imidazole-2-thione
CID 127017386
3-(3,3-difluorocyclopentyl)-5-methyl-1H-imidazole-2-thione
CID 130609571
3-(4,4-difluorobutan-2-yl)-1H-imidazole-2-thione
CID 130719275
3-(2,2-difluorocyclopentyl)-5-methyl-1H-imidazole-2-thione
CID 131080937
3-(4,4-difluorocyclohexyl)-1H-imidazole-2-thione
CID 131165920
1-cyclopentyl-1H-imidazole-2-thiol
CID 29062795

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione (CID 131196456) is 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione is FC1(F)CCCC1n1cc[nH]c1=S.
What is the InChIKey of 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione?
The InChIKey is JCDQWNJGMBTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c9-8(10)3-1-2-6(8)12-5-4-11-7(12)13/h4-6H,1-3H2,(H,11,13).
What are the key properties of 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione?
3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione has a molecular weight of 204.24 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopentyl)-1H-imidazole-2-thione is sourced from PubChem (CID 131196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).