2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine

C18H11F5N2O — CID 15452293

IUPAC2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H11F5N2O/c1-10-7-16(26-13-4-2-3-11(8-13)18(21,22)23)25-17(24-10)14-6-5-12(19)9-15(14)20/h2-9H,1H3
InChIKeyTWXGHYWKXQFGJG-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.54
Rot. Bonds3

About 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine

2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 15452293) has the molecular formula C18H11F5N2O and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID15452293
Molecular FormulaC18H11F5N2O
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC Name2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C18H11F5N2O/c1-10-7-16(26-13-4-2-3-11(8-13)18(21,22)23)25-17(24-10)14-6-5-12(19)9-15(14)20/h2-9H,1H3
InChIKeyTWXGHYWKXQFGJG-UHFFFAOYSA-N
XLogP5.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 15452293) is 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine is Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is TWXGHYWKXQFGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O/c1-10-7-16(26-13-4-2-3-11(8-13)18(21,22)23)25-17(24-10)14-6-5-12(19)9-15(14)20/h2-9H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine?
2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 366.29 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 15452293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).