2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine

C18H16F3NO — CID 132602178

IUPAC2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
SMILESFC(F)(F)CC1(c2ccccc2)CCN=C(c2ccccc2)O1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)13-17(15-9-5-2-6-10-15)11-12-22-16(23-17)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyODUHGPRGPFGFQU-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.70
Rot. Bonds3

About 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine

2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine (PubChem CID 132602178) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
PubChem CID132602178
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
SMILESFC(F)(F)CC1(c2ccccc2)CCN=C(c2ccccc2)O1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)13-17(15-9-5-2-6-10-15)11-12-22-16(23-17)14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyODUHGPRGPFGFQU-UHFFFAOYSA-N
XLogP4.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
6-Benzyl-2-ethyl-5-methyl-6-phenyl-4,5-dihydro-1,3-oxazine
CID 12372430
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 122364929
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
(3S,4R)-2'-phenyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,6'-4,5-dihydro-1,3-oxazine]
CID 134954194
(5S)-5-fluoro-2-phenyl-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 134959921
(5R)-5-(bromomethyl)-5-(4-fluorophenyl)-2-phenyl-4H-1,3-oxazole
CID 135035337
(5R)-5-(bromomethyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-4H-1,3-oxazole
CID 135035338
(4aS,10bS)-4a-fluoro-10b-methyl-2-phenyl-5,6-dihydro-4H-benzo[h][1,3]benzoxazine
CID 135065057
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
(5S)-5-ethyl-5-fluoro-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714049
(5S)-5-fluoro-5-methyl-2,6-diphenyl-4,6-dihydro-1,3-oxazine
CID 154714281

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine?
The IUPAC name of 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine (CID 132602178) is 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine.
What is the SMILES notation for 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine?
The canonical SMILES for 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine is FC(F)(F)CC1(c2ccccc2)CCN=C(c2ccccc2)O1.
What is the InChIKey of 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine?
The InChIKey is ODUHGPRGPFGFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)13-17(15-9-5-2-6-10-15)11-12-22-16(23-17)14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine?
2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine has a molecular weight of 319.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine is sourced from PubChem (CID 132602178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).