2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine

C20H10F9NO2 — CID 134618302

IUPAC2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H10F9NO2/c21-18(22,23)13-9-16(11-1-5-14(6-2-11)31-19(24,25)26)30-17(10-13)12-3-7-15(8-4-12)32-20(27,28)29/h1-10H
InChIKeyHVHVBOXOIFZKOG-UHFFFAOYSA-N
MW467.29 g/mol
LogP7.23
Rot. Bonds4

About 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine

2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine (PubChem CID 134618302) has the molecular formula C20H10F9NO2 and a molecular weight of 467.29 g/mol. Its IUPAC name is 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
PubChem CID134618302
Molecular FormulaC20H10F9NO2
Molecular Weight467.29 g/mol
Exact Mass467.06
IUPAC Name2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H10F9NO2/c21-18(22,23)13-9-16(11-1-5-14(6-2-11)31-19(24,25)26)30-17(10-13)12-3-7-15(8-4-12)32-20(27,28)29/h1-10H
InChIKeyHVHVBOXOIFZKOG-UHFFFAOYSA-N
XLogP7.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.29
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine (CID 134618302) is 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine is FC(F)(F)Oc1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine?
The InChIKey is HVHVBOXOIFZKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F9NO2/c21-18(22,23)13-9-16(11-1-5-14(6-2-11)31-19(24,25)26)30-17(10-13)12-3-7-15(8-4-12)32-20(27,28)29/h1-10H.
What are the key properties of 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine?
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine has a molecular weight of 467.29 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134618302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).