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

C10H9F2NO2 — CID 70298278

IUPAC5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
SMILESCCc1cc(F)c(F)c2c1NC(=O)CO2
InChIInChI=1S/C10H9F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h3H,2,4H2,1H3,(H,13,14)
InChIKeyOYZDVIGPSMLVBO-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.86
Rot. Bonds1

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

5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one (PubChem CID 70298278) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
PubChem CID70298278
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one
SMILESCCc1cc(F)c(F)c2c1NC(=O)CO2
InChIInChI=1S/C10H9F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h3H,2,4H2,1H3,(H,13,14)
InChIKeyOYZDVIGPSMLVBO-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
Edulitine
CID 826073
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
CID 302897
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 13731295
5-methyl-6-(3-methylphenyl)-4H-1,4-benzoxazin-3-one
CID 57585515
6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 604828
[7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] 2-methylprop-2-enoate
CID 4030924
6-[(E)-2-(2,4-difluorophenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 127030810
6-[2-(2,4-difluorophenyl)ethynyl]-4H-1,4-benzoxazin-3-one
CID 127032030
6-[(Z)-2-(2,4-difluorophenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 127032031
6-[(2,4-difluorophenoxy)methyl]-4H-1,4-benzoxazin-3-one
CID 127032032

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one (CID 70298278) is 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one is CCc1cc(F)c(F)c2c1NC(=O)CO2.
What is the InChIKey of 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
The InChIKey is OYZDVIGPSMLVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-2-5-3-6(11)8(12)10-9(5)13-7(14)4-15-10/h3H,2,4H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one?
5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one has a molecular weight of 213.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-difluoro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 70298278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).