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

C5H6F2N4S — CID 164651853

IUPAC1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione
SMILESFC1(F)CC(n2[nH]nnc2=S)C1
InChIInChI=1S/C5H6F2N4S/c6-5(7)1-3(2-5)11-4(12)8-9-10-11/h3H,1-2H2,(H,8,10,12)
InChIKeyVOQWFXGUSPTNOC-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.31
Rot. Bonds1

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

1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione (PubChem CID 164651853) has the molecular formula C5H6F2N4S and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione
PubChem CID164651853
Molecular FormulaC5H6F2N4S
Molecular Weight192.19 g/mol
Exact Mass192.03
IUPAC Name1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione
SMILESFC1(F)CC(n2[nH]nnc2=S)C1
InChIInChI=1S/C5H6F2N4S/c6-5(7)1-3(2-5)11-4(12)8-9-10-11/h3H,1-2H2,(H,8,10,12)
InChIKeyVOQWFXGUSPTNOC-UHFFFAOYSA-N
XLogP1.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.31
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-(3,3,3-trifluoropropyl)-2H-tetrazole-5-thione
CID 63226693
1-(4,4,4-trifluorobutan-2-yl)-2H-tetrazole-5-thione
CID 105926375
1-(2,2,3,3-tetrafluoropropyl)-2H-tetrazole-5-thione
CID 106290492
1-(4,4,4-trifluorobutyl)-2H-tetrazole-5-thione
CID 115520988
1-(4,4-difluorobutan-2-yl)-2H-tetrazole-5-thione
CID 130677773
1-(1,1,1-trifluoropropan-2-yl)-2H-tetrazole-5-thione
CID 130948217
1-(1,1-difluoropropan-2-yl)-2H-tetrazole-5-thione
CID 130992840
1-cyclobutyl-2H-tetrazole-5-thione
CID 62415780

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione (CID 164651853) is 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione is FC1(F)CC(n2[nH]nnc2=S)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione?
The InChIKey is VOQWFXGUSPTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4S/c6-5(7)1-3(2-5)11-4(12)8-9-10-11/h3H,1-2H2,(H,8,10,12).
What are the key properties of 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione?
1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione has a molecular weight of 192.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 164651853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).