2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine

C14H10BrClFNO — CID 82971203

IUPAC2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc(Br)ccc1C1CNc2cccc(Cl)c2O1
InChIInChI=1S/C14H10BrClFNO/c15-8-4-5-9(11(17)6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2
InChIKeyRMMCWVWPRBEDBM-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.79
Rot. Bonds1

About 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine

2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82971203) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82971203
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc(Br)ccc1C1CNc2cccc(Cl)c2O1
InChIInChI=1S/C14H10BrClFNO/c15-8-4-5-9(11(17)6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2
InChIKeyRMMCWVWPRBEDBM-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine (CID 82971203) is 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine is Fc1cc(Br)ccc1C1CNc2cccc(Cl)c2O1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is RMMCWVWPRBEDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-8-4-5-9(11(17)6-8)13-7-18-12-3-1-2-10(16)14(12)19-13/h1-6,13,18H,7H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine?
2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 342.60 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).