2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine

C11H14F3N — CID 67473380

IUPAC2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1CC(C)C
InChIInChI=1S/C11H14F3N/c1-8(2)6-15-7-10(11(12,13)14)5-4-9(15)3/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZHMUGCHLUXNMEB-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.47
Rot. Bonds2

About 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine

2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine (PubChem CID 67473380) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
PubChem CID67473380
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
SMILESC=C1C=CC(C(F)(F)F)=CN1CC(C)C
InChIInChI=1S/C11H14F3N/c1-8(2)6-15-7-10(11(12,13)14)5-4-9(15)3/h4-5,7-8H,3,6H2,1-2H3
InChIKeyZHMUGCHLUXNMEB-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine (CID 67473380) is 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine is C=C1C=CC(C(F)(F)F)=CN1CC(C)C.
What is the InChIKey of 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine?
The InChIKey is ZHMUGCHLUXNMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(2)6-15-7-10(11(12,13)14)5-4-9(15)3/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine?
2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 67473380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).