2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane

C20H18F6N2O — CID 134921578

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane
SMILESCN1C(=C(C(F)(F)F)C(F)(F)F)OC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C20H18F6N2O/c1-27-16(13-9-5-3-6-10-13)28(2)18(15(19(21,22)23)20(24,25)26)29-17(27)14-11-7-4-8-12-14/h3-12,16-17H,1-2H3
InChIKeyIXLIXYWTCOWSKH-UHFFFAOYSA-N
MW416.37 g/mol
LogP5.61
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane

2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane (PubChem CID 134921578) has the molecular formula C20H18F6N2O and a molecular weight of 416.37 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane
PubChem CID134921578
Molecular FormulaC20H18F6N2O
Molecular Weight416.37 g/mol
Exact Mass416.13
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane
SMILESCN1C(=C(C(F)(F)F)C(F)(F)F)OC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C20H18F6N2O/c1-27-16(13-9-5-3-6-10-13)28(2)18(15(19(21,22)23)20(24,25)26)29-17(27)14-11-7-4-8-12-14/h3-12,16-17H,1-2H3
InChIKeyIXLIXYWTCOWSKH-UHFFFAOYSA-N
XLogP5.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane (CID 134921578) is 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane is CN1C(=C(C(F)(F)F)C(F)(F)F)OC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane?
The InChIKey is IXLIXYWTCOWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O/c1-27-16(13-9-5-3-6-10-13)28(2)18(15(19(21,22)23)20(24,25)26)29-17(27)14-11-7-4-8-12-14/h3-12,16-17H,1-2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane?
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane has a molecular weight of 416.37 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane is sourced from PubChem (CID 134921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).