6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one

C10H8FNO2 — CID 69375022

IUPAC6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one
SMILESC=Cc1cc(F)c2c(c1)NC(=O)CO2
InChIInChI=1S/C10H8FNO2/c1-2-6-3-7(11)10-8(4-6)12-9(13)5-14-10/h2-4H,1,5H2,(H,12,13)
InChIKeyUSGHUYLOTYBQGN-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.80
Rot. Bonds1

About 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one

6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one (PubChem CID 69375022) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one
PubChem CID69375022
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one
SMILESC=Cc1cc(F)c2c(c1)NC(=O)CO2
InChIInChI=1S/C10H8FNO2/c1-2-6-3-7(11)10-8(4-6)12-9(13)5-14-10/h2-4H,1,5H2,(H,12,13)
InChIKeyUSGHUYLOTYBQGN-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-6-[(E)-2-phenylethenyl]-4H-1,4-benzoxazin-3-one
CID 11637573
6-(aminomethyl)-8-fluoro-4H-1,4-benzoxazin-3-one;hydrochloride
CID 91666287
(3Z)-3-[(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)methylidene]piperidine-1-carboxylic acid
CID 68947740
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
6-[2-(3-fluoro-4-hydroxyphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68977937
6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
6-(3,4-dihydro-1H-isoquinolin-2-yl)-8-fluoro-4H-1,4-benzoxazin-3-one
CID 11659400
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
3-oxo-8-propoxy-4H-1,4-benzoxazine-6-carbaldehyde
CID 82154092
6-amino-8-bromo-4H-1,4-benzoxazin-3-one
CID 82231984
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
8-methyl-6-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4H-1,4-benzoxazin-3-one
CID 87830311

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one (CID 69375022) is 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one is C=Cc1cc(F)c2c(c1)NC(=O)CO2.
What is the InChIKey of 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one?
The InChIKey is USGHUYLOTYBQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-2-6-3-7(11)10-8(4-6)12-9(13)5-14-10/h2-4H,1,5H2,(H,12,13).
What are the key properties of 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one?
6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one has a molecular weight of 193.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-8-fluoro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 69375022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).