4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine

C15H14F3N — CID 70841155

IUPAC4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine
SMILESCC(C)c1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C15H14F3N/c1-10(2)13-4-3-12(9-14(13)15(16,17)18)11-5-7-19-8-6-11/h3-10H,1-2H3
InChIKeyIACSKCPMZFBRMH-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.89
Rot. Bonds2

About 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine

4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 70841155) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine
PubChem CID70841155
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine
SMILESCC(C)c1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C15H14F3N/c1-10(2)13-4-3-12(9-14(13)15(16,17)18)11-5-7-19-8-6-11/h3-10H,1-2H3
InChIKeyIACSKCPMZFBRMH-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine (CID 70841155) is 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine is CC(C)c1ccc(-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is IACSKCPMZFBRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(2)13-4-3-12(9-14(13)15(16,17)18)11-5-7-19-8-6-11/h3-10H,1-2H3.
What are the key properties of 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine?
4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 265.28 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 70841155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).