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

C20H8F12N2 — CID 132551111

IUPAC4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H8F12N2/c21-17(22,23)13-5-11(6-14(33-13)18(24,25)26)9-1-2-10(4-3-9)12-7-15(19(27,28)29)34-16(8-12)20(30,31)32/h1-8H
InChIKeyFYLZCUDJFFQQEL-UHFFFAOYSA-N
MW504.27 g/mol
LogP7.89
Rot. Bonds2

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

4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine (PubChem CID 132551111) has the molecular formula C20H8F12N2 and a molecular weight of 504.27 g/mol. Its IUPAC name is 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
PubChem CID132551111
Molecular FormulaC20H8F12N2
Molecular Weight504.27 g/mol
Exact Mass504.05
IUPAC Name4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H8F12N2/c21-17(22,23)13-5-11(6-14(33-13)18(24,25)26)9-1-2-10(4-3-9)12-7-15(19(27,28)29)34-16(8-12)20(30,31)32/h1-8H
InChIKeyFYLZCUDJFFQQEL-UHFFFAOYSA-N
XLogP7.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.27
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
CID 132551108
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 141185313
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
[4-[2-(4-fluorophenyl)-6-(trifluoromethyl)-4-pyridinyl]phenyl]methanesulfinic acid
CID 174961708
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
4-deuterio-2,6-bis(trifluoromethyl)pyridine
CID 175919403
2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
CID 118993536

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine (CID 132551111) is 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is FYLZCUDJFFQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F12N2/c21-17(22,23)13-5-11(6-14(33-13)18(24,25)26)9-1-2-10(4-3-9)12-7-15(19(27,28)29)34-16(8-12)20(30,31)32/h1-8H.
What are the key properties of 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine?
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 504.27 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 132551111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).