1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole

C9H7F3N4S — CID 134842307

IUPAC1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole
SMILESFC(F)(F)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-17-8-13-14-15-16(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXFOROXNFVAZFKZ-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.32
Rot. Bonds3

About 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole

1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole (PubChem CID 134842307) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole
PubChem CID134842307
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole
SMILESFC(F)(F)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)6-17-8-13-14-15-16(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXFOROXNFVAZFKZ-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Stk291648
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole?
The IUPAC name of 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole (CID 134842307) is 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole is FC(F)(F)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole?
The InChIKey is XFOROXNFVAZFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)6-17-8-13-14-15-16(8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole?
1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole has a molecular weight of 260.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(2,2,2-trifluoroethylsulfanyl)tetrazole is sourced from PubChem (CID 134842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).