4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole

C10H10FN3S — CID 71853988

IUPAC4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole
SMILESCC(Sc1cn[nH]n1)c1ccccc1F
InChIInChI=1S/C10H10FN3S/c1-7(15-10-6-12-14-13-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14)
InChIKeyFCSSFAVQWBJLGH-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.80
Rot. Bonds3

About 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole

4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole (PubChem CID 71853988) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole
PubChem CID71853988
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole
SMILESCC(Sc1cn[nH]n1)c1ccccc1F
InChIInChI=1S/C10H10FN3S/c1-7(15-10-6-12-14-13-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14)
InChIKeyFCSSFAVQWBJLGH-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole?
The IUPAC name of 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole (CID 71853988) is 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole.
What is the SMILES notation for 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole?
The canonical SMILES for 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole is CC(Sc1cn[nH]n1)c1ccccc1F.
What is the InChIKey of 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole?
The InChIKey is FCSSFAVQWBJLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7(15-10-6-12-14-13-10)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole?
4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole has a molecular weight of 223.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)ethylsulfanyl]-2H-triazole is sourced from PubChem (CID 71853988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).