2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

C14H10BrF2NO — CID 82970339

IUPAC2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)OC(c1cc(Br)ccc1F)CN2
InChIInChI=1S/C14H10BrF2NO/c15-8-1-3-11(17)10(5-8)14-7-18-12-4-2-9(16)6-13(12)19-14/h1-6,14,18H,7H2
InChIKeyDRWNJMAANUBXGV-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.27
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82970339) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82970339
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1)OC(c1cc(Br)ccc1F)CN2
InChIInChI=1S/C14H10BrF2NO/c15-8-1-3-11(17)10(5-8)14-7-18-12-4-2-9(16)6-13(12)19-14/h1-6,14,18H,7H2
InChIKeyDRWNJMAANUBXGV-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 82970339) is 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2c(c1)OC(c1cc(Br)ccc1F)CN2.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is DRWNJMAANUBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-8-1-3-11(17)10(5-8)14-7-18-12-4-2-9(16)6-13(12)19-14/h1-6,14,18H,7H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 326.14 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82970339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).