1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole

C13H15F3N4OS — CID 86927239

IUPAC1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole
SMILESCCCn1nnnc1CS(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4OS/c1-2-7-20-12(17-18-19-20)9-22(21)8-10-5-3-4-6-11(10)13(14,15)16/h3-6H,2,7-9H2,1H3
InChIKeyZHOQSRUKDRDXOS-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.55
Rot. Bonds6

About 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole

1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole (PubChem CID 86927239) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole.

Molecular Properties

Compound Name1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole
PubChem CID86927239
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole
SMILESCCCn1nnnc1CS(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4OS/c1-2-7-20-12(17-18-19-20)9-22(21)8-10-5-3-4-6-11(10)13(14,15)16/h3-6H,2,7-9H2,1H3
InChIKeyZHOQSRUKDRDXOS-UHFFFAOYSA-N
XLogP2.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole?
The IUPAC name of 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole (CID 86927239) is 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole.
What is the SMILES notation for 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole?
The canonical SMILES for 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole is CCCn1nnnc1CS(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole?
The InChIKey is ZHOQSRUKDRDXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-2-7-20-12(17-18-19-20)9-22(21)8-10-5-3-4-6-11(10)13(14,15)16/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole?
1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole has a molecular weight of 332.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole is sourced from PubChem (CID 86927239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).