1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione

C6H8F2N4S — CID 130616652

IUPAC1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione
SMILESFC1(F)CCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C6H8F2N4S/c7-6(8)2-1-4(3-6)12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13)
InChIKeyKQHGAQYXNQPZTD-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.70
Rot. Bonds1

About 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione

1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione (PubChem CID 130616652) has the molecular formula C6H8F2N4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione
PubChem CID130616652
Molecular FormulaC6H8F2N4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione
SMILESFC1(F)CCC(n2[nH]nnc2=S)C1
InChIInChI=1S/C6H8F2N4S/c7-6(8)2-1-4(3-6)12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13)
InChIKeyKQHGAQYXNQPZTD-UHFFFAOYSA-N
XLogP1.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopentyl-1H-tetrazole-5-thiol
CID 729454
1-(5,5,5-trifluoropentyl)-2H-tetrazole-5-thione
CID 115520989
1-(4,4-difluorobutan-2-yl)-2H-tetrazole-5-thione
CID 130677773
1-(4,4-difluorocyclohexyl)-2H-tetrazole-5-thione
CID 131187103

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione (CID 130616652) is 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione is FC1(F)CCC(n2[nH]nnc2=S)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione?
The InChIKey is KQHGAQYXNQPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4S/c7-6(8)2-1-4(3-6)12-5(13)9-10-11-12/h4H,1-3H2,(H,9,11,13).
What are the key properties of 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione?
1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione has a molecular weight of 206.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 130616652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).