6-(trifluoromethyl)-1,4-benzoxazin-2-one

C9H4F3NO2 — CID 154423234

IUPAC6-(trifluoromethyl)-1,4-benzoxazin-2-one
SMILESO=c1cnc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-4-8(14)15-7/h1-4H
InChIKeyPCZNVXHKVWXEMI-UHFFFAOYSA-N
MW215.13 g/mol
LogP2.21
Rot. Bonds

About 6-(trifluoromethyl)-1,4-benzoxazin-2-one

6-(trifluoromethyl)-1,4-benzoxazin-2-one (PubChem CID 154423234) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,4-benzoxazin-2-one
PubChem CID154423234
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name6-(trifluoromethyl)-1,4-benzoxazin-2-one
SMILESO=c1cnc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C9H4F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-4-8(14)15-7/h1-4H
InChIKeyPCZNVXHKVWXEMI-UHFFFAOYSA-N
XLogP2.21
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,4-benzoxazin-2-one?
The IUPAC name of 6-(trifluoromethyl)-1,4-benzoxazin-2-one (CID 154423234) is 6-(trifluoromethyl)-1,4-benzoxazin-2-one.
What is the SMILES notation for 6-(trifluoromethyl)-1,4-benzoxazin-2-one?
The canonical SMILES for 6-(trifluoromethyl)-1,4-benzoxazin-2-one is O=c1cnc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 6-(trifluoromethyl)-1,4-benzoxazin-2-one?
The InChIKey is PCZNVXHKVWXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-4-8(14)15-7/h1-4H.
What are the key properties of 6-(trifluoromethyl)-1,4-benzoxazin-2-one?
6-(trifluoromethyl)-1,4-benzoxazin-2-one has a molecular weight of 215.13 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,4-benzoxazin-2-one is sourced from PubChem (CID 154423234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).