2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine

C18H11F6NO — CID 13048285

IUPAC2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine
SMILESFC(F)(F)C1(C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=N1
InChIInChI=1S/C18H11F6NO/c19-17(20,21)16(18(22,23)24)11-14(12-7-3-1-4-8-12)26-15(25-16)13-9-5-2-6-10-13/h1-11H
InChIKeyMSKKVUXPRIWORB-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.37
Rot. Bonds2

About 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine

2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine (PubChem CID 13048285) has the molecular formula C18H11F6NO and a molecular weight of 371.28 g/mol. Its IUPAC name is 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine.

Molecular Properties

Compound Name2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine
PubChem CID13048285
Molecular FormulaC18H11F6NO
Molecular Weight371.28 g/mol
Exact Mass371.07
IUPAC Name2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine
SMILESFC(F)(F)C1(C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=N1
InChIInChI=1S/C18H11F6NO/c19-17(20,21)16(18(22,23)24)11-14(12-7-3-1-4-8-12)26-15(25-16)13-9-5-2-6-10-13/h1-11H
InChIKeyMSKKVUXPRIWORB-UHFFFAOYSA-N
XLogP5.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene
CID 12914884
2-Phenyl-4,4-bis(trifluoromethyl)-oxazoline
CID 129794334
6-(1,1,2,2,2-Pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
CID 134922293
(2S)-2-(fluoromethyl)-6-methyl-2,4-diphenyl-1,3-oxazine
CID 139187280
benzyl (E)-N-(trifluoromethyl)benzenecarboximidate
CID 176438460
[4-(trifluoromethyl)phenyl]methyl (E)-N-(trifluoromethyl)benzenecarboximidate
CID 176438461
3-phenylprop-2-ynyl (E)-N-(trifluoromethyl)benzenecarboximidate
CID 176438463
2,2,2-trifluoroethyl (E)-N-(trifluoromethyl)benzenecarboximidate
CID 176438468
4-Ethyl-4-fluoro-2-phenyl-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851476
4-Ethyl-4-fluoro-2-(4-fluorophenyl)-3-oxa-1-azaspiro[5.5]undec-1-ene
CID 177851480
6-Benzyl-6-fluoro-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851487
6-Fluoro-6-[(4-fluorophenyl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazine
CID 177851491

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine?
The IUPAC name of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine (CID 13048285) is 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine.
What is the SMILES notation for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine?
The canonical SMILES for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine is FC(F)(F)C1(C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=N1.
What is the InChIKey of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine?
The InChIKey is MSKKVUXPRIWORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO/c19-17(20,21)16(18(22,23)24)11-14(12-7-3-1-4-8-12)26-15(25-16)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine?
2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine has a molecular weight of 371.28 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3-oxazine is sourced from PubChem (CID 13048285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).