2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C24H16F6N2O4 — CID 23653930

IUPAC2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(OCc3cccc(-c4c(C(F)(F)F)cccc4C(F)(F)F)c3)cc2)o1
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)18-5-2-6-19(24(28,29)30)20(18)16-4-1-3-15(11-16)13-35-17-9-7-14(8-10-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34)
InChIKeyNNEYJXOFYPBPQI-UHFFFAOYSA-N
MW510.39 g/mol
LogP5.46
Rot. Bonds6

About 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 23653930) has the molecular formula C24H16F6N2O4 and a molecular weight of 510.39 g/mol. Its IUPAC name is 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID23653930
Molecular FormulaC24H16F6N2O4
Molecular Weight510.39 g/mol
Exact Mass510.10
IUPAC Name2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(OCc3cccc(-c4c(C(F)(F)F)cccc4C(F)(F)F)c3)cc2)o1
InChIInChI=1S/C24H16F6N2O4/c25-23(26,27)18-5-2-6-19(24(28,29)30)20(18)16-4-1-3-15(11-16)13-35-17-9-7-14(8-10-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34)
InChIKeyNNEYJXOFYPBPQI-UHFFFAOYSA-N
XLogP5.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 23653930) is 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(OCc3cccc(-c4c(C(F)(F)F)cccc4C(F)(F)F)c3)cc2)o1.
What is the InChIKey of 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is NNEYJXOFYPBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O4/c25-23(26,27)18-5-2-6-19(24(28,29)30)20(18)16-4-1-3-15(11-16)13-35-17-9-7-14(8-10-17)12-32-21(33)31-22(34)36-32/h1-11H,12-13H2,(H,31,33,34).
What are the key properties of 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 510.39 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-[2,6-bis(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 23653930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).