6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine

C15H12Cl2FNO — CID 82720778

IUPAC6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cc(Cl)c(F)cc2OC1c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2FNO/c1-8-15(9-3-2-4-10(16)5-9)20-14-7-12(18)11(17)6-13(14)19-8/h2-8,15,19H,1H3
InChIKeyVOALOSJNEXOCMZ-UHFFFAOYSA-N
MW312.17 g/mol
LogP5.07
Rot. Bonds1

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

6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82720778) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82720778
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1Nc2cc(Cl)c(F)cc2OC1c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2FNO/c1-8-15(9-3-2-4-10(16)5-9)20-14-7-12(18)11(17)6-13(14)19-8/h2-8,15,19H,1H3
InChIKeyVOALOSJNEXOCMZ-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.17
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82720778) is 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1Nc2cc(Cl)c(F)cc2OC1c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is VOALOSJNEXOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-8-15(9-3-2-4-10(16)5-9)20-14-7-12(18)11(17)6-13(14)19-8/h2-8,15,19H,1H3.
What are the key properties of 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 312.17 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82720778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).