4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine

C16H12ClF2NO — CID 15790733

IUPAC4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H12ClF2NO/c17-11-6-4-10(5-7-11)14-8-9-21-16(20-14)15-12(18)2-1-3-13(15)19/h1-7,14H,8-9H2
InChIKeyXQWUQIGSLLWQNG-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine

4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 15790733) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID15790733
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H12ClF2NO/c17-11-6-4-10(5-7-11)14-8-9-21-16(20-14)15-12(18)2-1-3-13(15)19/h1-7,14H,8-9H2
InChIKeyXQWUQIGSLLWQNG-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine (CID 15790733) is 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is XQWUQIGSLLWQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-11-6-4-10(5-7-11)14-8-9-21-16(20-14)15-12(18)2-1-3-13(15)19/h1-7,14H,8-9H2.
What are the key properties of 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 307.73 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 15790733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).