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

C14H10BrClFNO — CID 166819680

IUPAC8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc(Cl)ccc1C1COc2c(Br)cccc2N1
InChIInChI=1S/C14H10BrClFNO/c15-10-2-1-3-12-14(10)19-7-13(18-12)9-5-4-8(16)6-11(9)17/h1-6,13,18H,7H2
InChIKeyGPQGDEHAWWFQSN-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.79
Rot. Bonds1

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

8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 166819680) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID166819680
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc(Cl)ccc1C1COc2c(Br)cccc2N1
InChIInChI=1S/C14H10BrClFNO/c15-10-2-1-3-12-14(10)19-7-13(18-12)9-5-4-8(16)6-11(9)17/h1-6,13,18H,7H2
InChIKeyGPQGDEHAWWFQSN-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 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 166819680) is 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1cc(Cl)ccc1C1COc2c(Br)cccc2N1.
What is the InChIKey of 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GPQGDEHAWWFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-10-2-1-3-12-14(10)19-7-13(18-12)9-5-4-8(16)6-11(9)17/h1-6,13,18H,7H2.
What are the key properties of 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
8-bromo-3-(4-chloro-2-fluorophenyl)-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 8-bromo-3-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 166819680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).