6-(trifluoromethoxy)-1,3-benzoxazol-2-amine

C8H5F3N2O2 — CID 54612797

IUPAC6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2o1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyGZDANCHBNJGSCV-UHFFFAOYSA-N
MW218.13 g/mol
LogP2.31
Rot. Bonds1

About 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine

6-(trifluoromethoxy)-1,3-benzoxazol-2-amine (PubChem CID 54612797) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
PubChem CID54612797
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(OC(F)(F)F)cc2o1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKeyGZDANCHBNJGSCV-UHFFFAOYSA-N
XLogP2.31
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine (CID 54612797) is 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine is Nc1nc2ccc(OC(F)(F)F)cc2o1.
What is the InChIKey of 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The InChIKey is GZDANCHBNJGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13).
What are the key properties of 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
6-(trifluoromethoxy)-1,3-benzoxazol-2-amine has a molecular weight of 218.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 54612797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).