2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine

C12H14F3N — CID 170081104

IUPAC2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
SMILESCC(c1cc(C(F)(F)F)ccn1)C1CCC1
InChIInChI=1S/C12H14F3N/c1-8(9-3-2-4-9)11-7-10(5-6-16-11)12(13,14)15/h5-9H,2-4H2,1H3
InChIKeyDPXQFCZCRGNBNM-UHFFFAOYSA-N
MW229.25 g/mol
LogP4.00
Rot. Bonds2

About 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine

2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine (PubChem CID 170081104) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
PubChem CID170081104
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
SMILESCC(c1cc(C(F)(F)F)ccn1)C1CCC1
InChIInChI=1S/C12H14F3N/c1-8(9-3-2-4-9)11-7-10(5-6-16-11)12(13,14)15/h5-9H,2-4H2,1H3
InChIKeyDPXQFCZCRGNBNM-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine (CID 170081104) is 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine is CC(c1cc(C(F)(F)F)ccn1)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is DPXQFCZCRGNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(9-3-2-4-9)11-7-10(5-6-16-11)12(13,14)15/h5-9H,2-4H2,1H3.
What are the key properties of 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine?
2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 229.25 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 170081104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).