5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine

C7H5F5N2OS — CID 153313317

IUPAC5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(S(F)(F)(F)(F)F)ccc2o1
InChIInChI=1S/C7H5F5N2OS/c8-16(9,10,11,12)4-1-2-6-5(3-4)14-7(13)15-6/h1-3H,(H2,13,14)
InChIKeySOWUOKLJMYKKKD-UHFFFAOYSA-N
MW260.19 g/mol
LogP4.07
Rot. Bonds1

About 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine

5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine (PubChem CID 153313317) has the molecular formula C7H5F5N2OS and a molecular weight of 260.19 g/mol. Its IUPAC name is 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine
PubChem CID153313317
Molecular FormulaC7H5F5N2OS
Molecular Weight260.19 g/mol
Exact Mass260.00
IUPAC Name5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(S(F)(F)(F)(F)F)ccc2o1
InChIInChI=1S/C7H5F5N2OS/c8-16(9,10,11,12)4-1-2-6-5(3-4)14-7(13)15-6/h1-3H,(H2,13,14)
InChIKeySOWUOKLJMYKKKD-UHFFFAOYSA-N
XLogP4.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine (CID 153313317) is 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine is Nc1nc2cc(S(F)(F)(F)(F)F)ccc2o1.
What is the InChIKey of 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine?
The InChIKey is SOWUOKLJMYKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2OS/c8-16(9,10,11,12)4-1-2-6-5(3-4)14-7(13)15-6/h1-3H,(H2,13,14).
What are the key properties of 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine?
5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine has a molecular weight of 260.19 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 153313317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).