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

C16H12ClF2NO — CID 54248219

IUPAC2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(C2CCOC(c3ccc(F)cc3Cl)=N2)cc1
InChIInChI=1S/C16H12ClF2NO/c17-14-9-12(19)5-6-13(14)16-20-15(7-8-21-16)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2
InChIKeyQUVMHRYCLGBPJV-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.53
Rot. Bonds2

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

2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 54248219) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID54248219
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine
SMILESFc1ccc(C2CCOC(c3ccc(F)cc3Cl)=N2)cc1
InChIInChI=1S/C16H12ClF2NO/c17-14-9-12(19)5-6-13(14)16-20-15(7-8-21-16)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2
InChIKeyQUVMHRYCLGBPJV-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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Related Compounds

4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
4-(2,4-Dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853265
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
4-(2-Chloro-4-octylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008033
4-(2-Chloro-4-ethylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308799
4-[2-Chloro-4-(2-methylpropyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316008
4-(2-Chloro-4-hexylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316009
2-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414767
2-(2,3-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414768
2-(2,4-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414769
2-(2,5-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine (CID 54248219) is 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine is Fc1ccc(C2CCOC(c3ccc(F)cc3Cl)=N2)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is QUVMHRYCLGBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-14-9-12(19)5-6-13(14)16-20-15(7-8-21-16)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-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 2-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 54248219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).