2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine

C24H14F6N2O2 — CID 5100103

IUPAC2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H14F6N2O2/c25-23(26,27)16-8-4-10-18(12-16)33-20-14-21(32-22(31-20)15-6-2-1-3-7-15)34-19-11-5-9-17(13-19)24(28,29)30/h1-14H
InChIKeyVYAYYZBPSSNOII-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.77
Rot. Bonds5

About 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine

2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 5100103) has the molecular formula C24H14F6N2O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID5100103
Molecular FormulaC24H14F6N2O2
Molecular Weight476.38 g/mol
Exact Mass476.10
IUPAC Name2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C24H14F6N2O2/c25-23(26,27)16-8-4-10-18(12-16)33-20-14-21(32-22(31-20)15-6-2-1-3-7-15)34-19-11-5-9-17(13-19)24(28,29)30/h1-14H
InChIKeyVYAYYZBPSSNOII-UHFFFAOYSA-N
XLogP7.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine (CID 5100103) is 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is VYAYYZBPSSNOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N2O2/c25-23(26,27)16-8-4-10-18(12-16)33-20-14-21(32-22(31-20)15-6-2-1-3-7-15)34-19-11-5-9-17(13-19)24(28,29)30/h1-14H.
What are the key properties of 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 476.38 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 5100103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).