4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine

C8H8F3N — CID 162611849

IUPAC4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESC=CC1C=CN=C(C(F)(F)F)C1
InChIInChI=1S/C8H8F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h2-4,6H,1,5H2
InChIKeyQKKVKSWFCLTVCV-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.71
Rot. Bonds1

About 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine

4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 162611849) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID162611849
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESC=CC1C=CN=C(C(F)(F)F)C1
InChIInChI=1S/C8H8F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h2-4,6H,1,5H2
InChIKeyQKKVKSWFCLTVCV-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine (CID 162611849) is 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine is C=CC1C=CN=C(C(F)(F)F)C1.
What is the InChIKey of 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is QKKVKSWFCLTVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h2-4,6H,1,5H2.
What are the key properties of 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine?
4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 175.15 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 162611849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).