6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

C14H9Cl3FNO — CID 82719847

IUPAC6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1cc(Cl)ccc1Cl)O2
InChIInChI=1S/C14H9Cl3FNO/c15-7-1-2-9(16)8(3-7)14-6-19-12-4-10(17)11(18)5-13(12)20-14/h1-5,14,19H,6H2
InChIKeyBSYXHPUTXOSIIV-UHFFFAOYSA-N
MW332.59 g/mol
LogP5.33
Rot. Bonds1

About 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82719847) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82719847
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1cc(Cl)ccc1Cl)O2
InChIInChI=1S/C14H9Cl3FNO/c15-7-1-2-9(16)8(3-7)14-6-19-12-4-10(17)11(18)5-13(12)20-14/h1-5,14,19H,6H2
InChIKeyBSYXHPUTXOSIIV-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.59
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 82719847) is 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1cc2c(cc1Cl)NCC(c1cc(Cl)ccc1Cl)O2.
What is the InChIKey of 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BSYXHPUTXOSIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c15-7-1-2-9(16)8(3-7)14-6-19-12-4-10(17)11(18)5-13(12)20-14/h1-5,14,19H,6H2.
What are the key properties of 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 332.59 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82719847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).