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

C14H10Cl2FNO — CID 82720155

IUPAC6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1ccccc1Cl)O2
InChIInChI=1S/C14H10Cl2FNO/c15-9-4-2-1-3-8(9)14-7-18-12-5-10(16)11(17)6-13(12)19-14/h1-6,14,18H,7H2
InChIKeyAELTYRKEUMKOJV-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.68
Rot. Bonds1

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

6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82720155) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82720155
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1cc2c(cc1Cl)NCC(c1ccccc1Cl)O2
InChIInChI=1S/C14H10Cl2FNO/c15-9-4-2-1-3-8(9)14-7-18-12-5-10(16)11(17)6-13(12)19-14/h1-6,14,18H,7H2
InChIKeyAELTYRKEUMKOJV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.68
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-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 82720155) is 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1cc2c(cc1Cl)NCC(c1ccccc1Cl)O2.
What is the InChIKey of 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is AELTYRKEUMKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-9-4-2-1-3-8(9)14-7-18-12-5-10(16)11(17)6-13(12)19-14/h1-6,14,18H,7H2.
What are the key properties of 6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
6-chloro-2-(2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 298.14 g/mol, XLogP of 4.68, 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-chlorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82720155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).