2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole

C9H5F4NOS2 — CID 175421252

IUPAC2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole
SMILESFC(SSc1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C9H5F4NOS2/c10-7(9(11,12)13)16-17-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H
InChIKeyFZWZQPURLRJAJM-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.43
Rot. Bonds3

About 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole

2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole (PubChem CID 175421252) has the molecular formula C9H5F4NOS2 and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole
PubChem CID175421252
Molecular FormulaC9H5F4NOS2
Molecular Weight283.27 g/mol
Exact Mass282.97
IUPAC Name2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole
SMILESFC(SSc1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C9H5F4NOS2/c10-7(9(11,12)13)16-17-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H
InChIKeyFZWZQPURLRJAJM-UHFFFAOYSA-N
XLogP4.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole (CID 175421252) is 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole is FC(SSc1nc2ccccc2o1)C(F)(F)F.
What is the InChIKey of 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole?
The InChIKey is FZWZQPURLRJAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4NOS2/c10-7(9(11,12)13)16-17-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H.
What are the key properties of 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole?
2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole has a molecular weight of 283.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 175421252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).