7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione

C14H8FNO3 — CID 170551517

IUPAC7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(-c2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C14H8FNO3/c15-9-6-7-11-12(8-9)16(14(18)19-13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKeyRGZRVEDUBMPSJP-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.08
Rot. Bonds1

About 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione

7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione (PubChem CID 170551517) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione
PubChem CID170551517
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(-c2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C14H8FNO3/c15-9-6-7-11-12(8-9)16(14(18)19-13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKeyRGZRVEDUBMPSJP-UHFFFAOYSA-N
XLogP2.08
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione (CID 170551517) is 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(-c2ccccc2)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione?
The InChIKey is RGZRVEDUBMPSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-9-6-7-11-12(8-9)16(14(18)19-13(11)17)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione?
7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione has a molecular weight of 257.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 170551517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).