5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione

C15H10FNO3 — CID 2725986

IUPAC5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1cccc(-n2c(=O)oc3cccc(F)c3c2=O)c1
InChIInChI=1S/C15H10FNO3/c1-9-4-2-5-10(8-9)17-14(18)13-11(16)6-3-7-12(13)20-15(17)19/h2-8H,1H3
InChIKeyAUEHARGUZBDMBN-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.39
Rot. Bonds1

About 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione

5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione (PubChem CID 2725986) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
PubChem CID2725986
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
SMILESCc1cccc(-n2c(=O)oc3cccc(F)c3c2=O)c1
InChIInChI=1S/C15H10FNO3/c1-9-4-2-5-10(8-9)17-14(18)13-11(16)6-3-7-12(13)20-15(17)19/h2-8H,1H3
InChIKeyAUEHARGUZBDMBN-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione?
The IUPAC name of 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione (CID 2725986) is 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione is Cc1cccc(-n2c(=O)oc3cccc(F)c3c2=O)c1.
What is the InChIKey of 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione?
The InChIKey is AUEHARGUZBDMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-9-4-2-5-10(8-9)17-14(18)13-11(16)6-3-7-12(13)20-15(17)19/h2-8H,1H3.
What are the key properties of 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione?
5-fluoro-3-(3-methylphenyl)-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 5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 2725986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).