2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine

C27H22F4N2 — CID 155908904

IUPAC2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C27H22F4N2/c1-26(2,3)17-7-10-20(22(14-17)25-12-9-19(28)16-33-25)21-11-8-18(27(29,30)31)15-23(21)24-6-4-5-13-32-24/h4-16H,1-3H3
InChIKeyZQGASRHRAPMNLQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP7.93
Rot. Bonds3

About 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine (PubChem CID 155908904) has the molecular formula C27H22F4N2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine
PubChem CID155908904
Molecular FormulaC27H22F4N2
Molecular Weight450.48 g/mol
Exact Mass450.17
IUPAC Name2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C27H22F4N2/c1-26(2,3)17-7-10-20(22(14-17)25-12-9-19(28)16-33-25)21-11-8-18(27(29,30)31)15-23(21)24-6-4-5-13-32-24/h4-16H,1-3H3
InChIKeyZQGASRHRAPMNLQ-UHFFFAOYSA-N
XLogP7.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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BC-1215
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3-(3-Benzylnaphthalen-2-yl)pyridine
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4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
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5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
3-(3,5-Difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11717884
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2-(4-tert-Butylphenyl)pyridine
CID 12984537

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine (CID 155908904) is 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine is CC(C)(C)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccccn2)c(-c2ccc(F)cn2)c1.
What is the InChIKey of 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine?
The InChIKey is ZQGASRHRAPMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N2/c1-26(2,3)17-7-10-20(22(14-17)25-12-9-19(28)16-33-25)21-11-8-18(27(29,30)31)15-23(21)24-6-4-5-13-32-24/h4-16H,1-3H3.
What are the key properties of 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine has a molecular weight of 450.48 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[2-pyridin-2-yl-4-(trifluoromethyl)phenyl]phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).