2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine

C16H13ClFNO — CID 22115254

IUPAC2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(Cl)c1C1=NC(c2ccccc2)CCO1
InChIInChI=1S/C16H13ClFNO/c17-12-7-4-8-13(18)15(12)16-19-14(9-10-20-16)11-5-2-1-3-6-11/h1-8,14H,9-10H2
InChIKeyDYFJQQZLPXBWHL-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.39
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine

2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 22115254) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID22115254
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(Cl)c1C1=NC(c2ccccc2)CCO1
InChIInChI=1S/C16H13ClFNO/c17-12-7-4-8-13(18)15(12)16-19-14(9-10-20-16)11-5-2-1-3-6-11/h1-8,14H,9-10H2
InChIKeyDYFJQQZLPXBWHL-UHFFFAOYSA-N
XLogP4.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 22115254) is 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(Cl)c1C1=NC(c2ccccc2)CCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is DYFJQQZLPXBWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-12-7-4-8-13(18)15(12)16-19-14(9-10-20-16)11-5-2-1-3-6-11/h1-8,14H,9-10H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine?
2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 289.74 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 22115254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).