5-(difluoromethylsulfonyl)-2H-tetrazole

C2H2F2N4O2S — CID 146170152

IUPAC5-(difluoromethylsulfonyl)-2H-tetrazole
SMILESO=S(=O)(c1nn[nH]n1)C(F)F
InChIInChI=1S/C2H2F2N4O2S/c3-1(4)11(9,10)2-5-7-8-6-2/h1H,(H,5,6,7,8)
InChIKeyLFNPSUWPGXKLHY-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.80
Rot. Bonds2

About 5-(difluoromethylsulfonyl)-2H-tetrazole

5-(difluoromethylsulfonyl)-2H-tetrazole (PubChem CID 146170152) has the molecular formula C2H2F2N4O2S and a molecular weight of 184.13 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-2H-tetrazole
PubChem CID146170152
Molecular FormulaC2H2F2N4O2S
Molecular Weight184.13 g/mol
Exact Mass183.99
IUPAC Name5-(difluoromethylsulfonyl)-2H-tetrazole
SMILESO=S(=O)(c1nn[nH]n1)C(F)F
InChIInChI=1S/C2H2F2N4O2S/c3-1(4)11(9,10)2-5-7-8-6-2/h1H,(H,5,6,7,8)
InChIKeyLFNPSUWPGXKLHY-UHFFFAOYSA-N
XLogP-0.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2H-tetrazol-5-ylsulfonyl)-2H-tetrazole
CID 87453730
trimethyl(2H-tetrazol-5-yl)-λ4-sulfane
CID 123995819
5-(benzenesulfonyl)-2H-tetrazole
CID 15323576
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
CID 14591043
sodium;2H-tetrazol-5-amine;chloride
CID 174904004
barium(2+);hydride;2H-tetrazol-5-amine
CID 173021575
sodium;hydride;2H-tetrazol-5-amine
CID 173196739
hydrogen peroxide;2H-tetrazol-5-amine
CID 87704631
iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
CID 161287015
N-(2H-tetrazol-5-yl)sulfamate
CID 59847910
1H-pyrazole;2H-tetrazol-5-ylsulfonylurea
CID 23192232
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 106051381

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-2H-tetrazole?
The IUPAC name of 5-(difluoromethylsulfonyl)-2H-tetrazole (CID 146170152) is 5-(difluoromethylsulfonyl)-2H-tetrazole.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-2H-tetrazole?
The canonical SMILES for 5-(difluoromethylsulfonyl)-2H-tetrazole is O=S(=O)(c1nn[nH]n1)C(F)F.
What is the InChIKey of 5-(difluoromethylsulfonyl)-2H-tetrazole?
The InChIKey is LFNPSUWPGXKLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2N4O2S/c3-1(4)11(9,10)2-5-7-8-6-2/h1H,(H,5,6,7,8).
What are the key properties of 5-(difluoromethylsulfonyl)-2H-tetrazole?
5-(difluoromethylsulfonyl)-2H-tetrazole has a molecular weight of 184.13 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-2H-tetrazole is sourced from PubChem (CID 146170152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).