7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C15H13BrFNO — CID 116837444

IUPAC7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1c2ccc(Br)cc2OCC1c1cccc(F)c1
InChIInChI=1S/C15H13BrFNO/c1-18-13-6-5-11(16)8-15(13)19-9-14(18)10-3-2-4-12(17)7-10/h2-8,14H,9H2,1H3
InChIKeyCUSHSRZXQLUKJQ-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.16
Rot. Bonds1

About 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine

7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 116837444) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID116837444
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1c2ccc(Br)cc2OCC1c1cccc(F)c1
InChIInChI=1S/C15H13BrFNO/c1-18-13-6-5-11(16)8-15(13)19-9-14(18)10-3-2-4-12(17)7-10/h2-8,14H,9H2,1H3
InChIKeyCUSHSRZXQLUKJQ-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 116837444) is 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1c2ccc(Br)cc2OCC1c1cccc(F)c1.
What is the InChIKey of 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is CUSHSRZXQLUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-18-13-6-5-11(16)8-15(13)19-9-14(18)10-3-2-4-12(17)7-10/h2-8,14H,9H2,1H3.
What are the key properties of 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 322.18 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 116837444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).