3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione

C15H10FNO3 — CID 11747669

IUPAC3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
SMILESCc1ccc2oc(=O)n(-c3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C15H10FNO3/c1-9-5-6-13-12(7-9)14(18)17(15(19)20-13)11-4-2-3-10(16)8-11/h2-8H,1H3
InChIKeyJBXWVHGNJYYFAO-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.39
Rot. Bonds1

About 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione

3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione (PubChem CID 11747669) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
PubChem CID11747669
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
SMILESCc1ccc2oc(=O)n(-c3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C15H10FNO3/c1-9-5-6-13-12(7-9)14(18)17(15(19)20-13)11-4-2-3-10(16)8-11/h2-8H,1H3
InChIKeyJBXWVHGNJYYFAO-UHFFFAOYSA-N
XLogP2.39
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 2725986
6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 44543048
3-(3-fluorophenyl)-6-methyl-2-propan-2-ylquinazolin-4-one
CID 134427569
6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
CID 11067824
3-(3-fluorophenyl)-1-methylquinazoline-2,4-dione
CID 56697661
5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione
CID 159345589
3-(2-bromo-6-fluorophenyl)-6-(2,4-difluorophenyl)-1,3-benzoxazine-2,4-dione
CID 176516539
(1R)-1-(3-fluorophenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7732572
6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
CID 71591586
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 175435329
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole
CID 118438756

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione (CID 11747669) is 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione is Cc1ccc2oc(=O)n(-c3cccc(F)c3)c(=O)c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione?
The InChIKey is JBXWVHGNJYYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-9-5-6-13-12(7-9)14(18)17(15(19)20-13)11-4-2-3-10(16)8-11/h2-8H,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione?
3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione has a molecular weight of 271.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 11747669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).