4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole

C10H8F3N3OS — CID 155653470

IUPAC4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole
SMILESFC(F)(F)Sc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)18-8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16)
InChIKeyJKNDAVKETXTMLO-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.00
Rot. Bonds4

About 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole

4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole (PubChem CID 155653470) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole.

Molecular Properties

Compound Name4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole
PubChem CID155653470
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole
SMILESFC(F)(F)Sc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8F3N3OS/c11-10(12,13)18-8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16)
InChIKeyJKNDAVKETXTMLO-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2H-triazol-4-yloxymethyl)benzonitrile
CID 155653521
4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole
CID 161324627
carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
4-[(E)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]ethenyl]-2H-triazole
CID 155653503
2-chloro-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]aniline
CID 168863796
1-(2-phenoxyethyl)-4-(trifluoromethylsulfanyl)benzene
CID 71232059
1-propyl-4-(trifluoromethylsulfanyl)benzene
CID 70828854
2H-triazol-4-yl hypochlorite
CID 175307130
2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
3-[4-(trifluoromethylsulfanyl)phenyl]propanenitrile
CID 53434468
5-(trifluoromethylsulfanyl)-2H-benzotriazole
CID 119087324
2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
CID 43721790

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole?
The IUPAC name of 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole (CID 155653470) is 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole.
What is the SMILES notation for 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole?
The canonical SMILES for 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole is FC(F)(F)Sc1ccc(COc2cn[nH]n2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole?
The InChIKey is JKNDAVKETXTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c11-10(12,13)18-8-3-1-7(2-4-8)6-17-9-5-14-16-15-9/h1-5H,6H2,(H,14,15,16).
What are the key properties of 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole?
4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole has a molecular weight of 275.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]-2H-triazole is sourced from PubChem (CID 155653470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).