2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine

C15H11F6N — CID 170286441

IUPAC2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
SMILESCC(c1ccc(-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H11F6N/c1-13(14(16,17)18,15(19,20)21)11-7-5-10(6-8-11)12-4-2-3-9-22-12/h2-9H,1H3
InChIKeySLYQIEVEAQQDDV-UHFFFAOYSA-N
MW319.25 g/mol
LogP5.13
Rot. Bonds2

About 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine

2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine (PubChem CID 170286441) has the molecular formula C15H11F6N and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
PubChem CID170286441
Molecular FormulaC15H11F6N
Molecular Weight319.25 g/mol
Exact Mass319.08
IUPAC Name2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
SMILESCC(c1ccc(-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H11F6N/c1-13(14(16,17)18,15(19,20)21)11-7-5-10(6-8-11)12-4-2-3-9-22-12/h2-9H,1H3
InChIKeySLYQIEVEAQQDDV-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.25
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
2-(4-methylphenyl)pyridine;silver
CID 121395993
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
CID 66510300
(2R)-2-amino-4,4-dimethyl-2-(4-pyridin-2-ylphenyl)pentanal
CID 138552477
2-(4-tert-butylsulfonylphenyl)pyridine
CID 102234963
CID 88530161
CID 88530161
2-[4-[2-[3-chloro-5-[2-(4-pyridin-2-ylphenyl)propan-2-yloxy]phenoxy]propan-2-yl]phenyl]pyridine
CID 139429802
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine?
The IUPAC name of 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine (CID 170286441) is 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine is CC(c1ccc(-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine?
The InChIKey is SLYQIEVEAQQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N/c1-13(14(16,17)18,15(19,20)21)11-7-5-10(6-8-11)12-4-2-3-9-22-12/h2-9H,1H3.
What are the key properties of 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine?
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine has a molecular weight of 319.25 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine is sourced from PubChem (CID 170286441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).