5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one

C10H7F2NO2 — CID 89242720

IUPAC5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
SMILESC=Cc1cc(F)c(F)c2c1NC(=O)CO2
InChIInChI=1S/C10H7F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h2-3H,1,4H2,(H,13,14)
InChIKeyIVGPMNITLBPJBL-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.94
Rot. Bonds1

About 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one

5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one (PubChem CID 89242720) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
PubChem CID89242720
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
SMILESC=Cc1cc(F)c(F)c2c1NC(=O)CO2
InChIInChI=1S/C10H7F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h2-3H,1,4H2,(H,13,14)
InChIKeyIVGPMNITLBPJBL-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one (CID 89242720) is 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one is C=Cc1cc(F)c(F)c2c1NC(=O)CO2.
What is the InChIKey of 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The InChIKey is IVGPMNITLBPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h2-3H,1,4H2,(H,13,14).
What are the key properties of 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one has a molecular weight of 211.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7,8-difluoro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 89242720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).