2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H6F4N2OS — CID 4191710

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(C(F)(F)F)o1
InChIInChI=1S/C10H6F4N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyAJOXWQSLFXVJKR-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.52
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 4191710) has the molecular formula C10H6F4N2OS and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID4191710
Molecular FormulaC10H6F4N2OS
Molecular Weight278.23 g/mol
Exact Mass278.01
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccccc1CSc1nnc(C(F)(F)F)o1
InChIInChI=1S/C10H6F4N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2
InChIKeyAJOXWQSLFXVJKR-UHFFFAOYSA-N
XLogP3.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 4191710) is 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Fc1ccccc1CSc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is AJOXWQSLFXVJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2OS/c11-7-4-2-1-3-6(7)5-18-9-16-15-8(17-9)10(12,13)14/h1-4H,5H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 278.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 4191710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).