1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine

C8H10F3N — CID 162564881

IUPAC1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESC=C1C=CC(C(F)(F)F)CN1C
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h3-4,7H,1,5H2,2H3
InChIKeyWEYXZDKBVFUMIB-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.18
Rot. Bonds

About 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine

1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 162564881) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID162564881
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESC=C1C=CC(C(F)(F)F)CN1C
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h3-4,7H,1,5H2,2H3
InChIKeyWEYXZDKBVFUMIB-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine (CID 162564881) is 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine is C=C1C=CC(C(F)(F)F)CN1C.
What is the InChIKey of 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is WEYXZDKBVFUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h3-4,7H,1,5H2,2H3.
What are the key properties of 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine?
1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 162564881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).