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

C18H10F6N2O2 — CID 11516885

IUPAC4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-5-13(7-11)27-15-9-16(26-10-25-15)28-14-6-2-4-12(8-14)18(22,23)24/h1-10H
InChIKeyCAHFMIUHKGJKLZ-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.10
Rot. Bonds4

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

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 11516885) has the molecular formula C18H10F6N2O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID11516885
Molecular FormulaC18H10F6N2O2
Molecular Weight400.28 g/mol
Exact Mass400.06
IUPAC Name4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-5-13(7-11)27-15-9-16(26-10-25-15)28-14-6-2-4-12(8-14)18(22,23)24/h1-10H
InChIKeyCAHFMIUHKGJKLZ-UHFFFAOYSA-N
XLogP6.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
[6-(3-tert-butylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916958
5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 118135615
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4,6-bis[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
CID 4035854

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine (CID 11516885) is 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1.
What is the InChIKey of 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is CAHFMIUHKGJKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-5-13(7-11)27-15-9-16(26-10-25-15)28-14-6-2-4-12(8-14)18(22,23)24/h1-10H.
What are the key properties of 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine?
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 400.28 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 11516885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).