7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one

C8H3BrF3NO2 — CID 82233670

IUPAC7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(Br)c2o1
InChIInChI=1S/C8H3BrF3NO2/c9-4-1-3(8(10,11)12)2-5-6(4)15-7(14)13-5/h1-2H,(H,13,14)
InChIKeyRTGAGTGYLDYEAL-UHFFFAOYSA-N
MW282.02 g/mol
LogP2.90
Rot. Bonds

About 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one

7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one (PubChem CID 82233670) has the molecular formula C8H3BrF3NO2 and a molecular weight of 282.02 g/mol. Its IUPAC name is 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one
PubChem CID82233670
Molecular FormulaC8H3BrF3NO2
Molecular Weight282.02 g/mol
Exact Mass280.93
IUPAC Name7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(Br)c2o1
InChIInChI=1S/C8H3BrF3NO2/c9-4-1-3(8(10,11)12)2-5-6(4)15-7(14)13-5/h1-2H,(H,13,14)
InChIKeyRTGAGTGYLDYEAL-UHFFFAOYSA-N
XLogP2.90
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one (CID 82233670) is 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(C(F)(F)F)cc(Br)c2o1.
What is the InChIKey of 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is RTGAGTGYLDYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NO2/c9-4-1-3(8(10,11)12)2-5-6(4)15-7(14)13-5/h1-2H,(H,13,14).
What are the key properties of 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one?
7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 282.02 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82233670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).