(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine

C18H13F6NO — CID 162413466

IUPAC(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFC(F)(F)c1cc(C2=NCC[C@@H](c3ccccc3)O2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NO/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)16-25-7-6-15(26-16)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2/t15-/m0/s1
InChIKeyXIPBIGOEWALATK-HNNXBMFYSA-N
MW373.30 g/mol
LogP5.63
Rot. Bonds2

About (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine

(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 162413466) has the molecular formula C18H13F6NO and a molecular weight of 373.30 g/mol. Its IUPAC name is (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID162413466
Molecular FormulaC18H13F6NO
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine
SMILESFC(F)(F)c1cc(C2=NCC[C@@H](c3ccccc3)O2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NO/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)16-25-7-6-15(26-16)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2/t15-/m0/s1
InChIKeyXIPBIGOEWALATK-HNNXBMFYSA-N
XLogP5.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
[(E,2R)-1,6-diphenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524511
(5R)-5-(4-fluorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 101796547
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
CID 132602176
2,6-Diphenyl-6-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazine
CID 132602178
2-(4-Fluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938641
2,4-Diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938643
2-(3,4-Difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938645
(5S)-5-fluoro-2-phenyl-6-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
CID 134959921
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962

Frequently Asked Questions

What is the IUPAC name of (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine (CID 162413466) is (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine is FC(F)(F)c1cc(C2=NCC[C@@H](c3ccccc3)O2)cc(C(F)(F)F)c1.
What is the InChIKey of (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is XIPBIGOEWALATK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H13F6NO/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)16-25-7-6-15(26-16)11-4-2-1-3-5-11/h1-5,8-10,15H,6-7H2/t15-/m0/s1.
What are the key properties of (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine?
(6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 373.30 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-[3,5-bis(trifluoromethyl)phenyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 162413466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).