5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine

C17H15F6N — CID 20709477

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H15F6N/c1-15(2,3)14-5-4-10(9-24-14)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h4-9H,1-3H3
InChIKeyYIXCHLAQIPBELM-UHFFFAOYSA-N
MW347.30 g/mol
LogP6.08
Rot. Bonds1

About 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine

5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine (PubChem CID 20709477) has the molecular formula C17H15F6N and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
PubChem CID20709477
Molecular FormulaC17H15F6N
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H15F6N/c1-15(2,3)14-5-4-10(9-24-14)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h4-9H,1-3H3
InChIKeyYIXCHLAQIPBELM-UHFFFAOYSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
CID 20709653
5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)pyridine
CID 144704292
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
[4-[5-[7-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-2-pyridinyl]phenyl]-trimethylsilane
CID 169294031
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 101484200
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine (CID 20709477) is 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine is CC(C)(C)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine?
The InChIKey is YIXCHLAQIPBELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N/c1-15(2,3)14-5-4-10(9-24-14)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h4-9H,1-3H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine?
5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine has a molecular weight of 347.30 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyridine is sourced from PubChem (CID 20709477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).