4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine

C9H10F3N — CID 176685918

IUPAC4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
SMILESC=C1C=C(C)C=CN1CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-7-3-4-13(8(2)5-7)6-9(10,11)12/h3-5H,2,6H2,1H3
InChIKeyJBYPPFIREGSJQU-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.84
Rot. Bonds1

About 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine

4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine (PubChem CID 176685918) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
PubChem CID176685918
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
SMILESC=C1C=C(C)C=CN1CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-7-3-4-13(8(2)5-7)6-9(10,11)12/h3-5H,2,6H2,1H3
InChIKeyJBYPPFIREGSJQU-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine (CID 176685918) is 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine is C=C1C=C(C)C=CN1CC(F)(F)F.
What is the InChIKey of 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is JBYPPFIREGSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-7-3-4-13(8(2)5-7)6-9(10,11)12/h3-5H,2,6H2,1H3.
What are the key properties of 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine?
4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 176685918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).