6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one

C8H4F3NO2 — CID 105454970

IUPAC6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one
SMILESO=c1o[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)4-1-2-5-6(3-4)12-14-7(5)13/h1-3,12H
InChIKeyZIQXAQVYLMGKPU-UHFFFAOYSA-N
MW203.12 g/mol
LogP2.14
Rot. Bonds

About 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one

6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one (PubChem CID 105454970) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one
PubChem CID105454970
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one
SMILESO=c1o[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C8H4F3NO2/c9-8(10,11)4-1-2-5-6(3-4)12-14-7(5)13/h1-3,12H
InChIKeyZIQXAQVYLMGKPU-UHFFFAOYSA-N
XLogP2.14
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one?
The IUPAC name of 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one (CID 105454970) is 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one.
What is the SMILES notation for 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one?
The canonical SMILES for 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one is O=c1o[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one?
The InChIKey is ZIQXAQVYLMGKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-8(10,11)4-1-2-5-6(3-4)12-14-7(5)13/h1-3,12H.
What are the key properties of 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one?
6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one has a molecular weight of 203.12 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-2,1-benzoxazol-3-one is sourced from PubChem (CID 105454970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).