1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C7H10F3N — CID 20612496

IUPAC1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5H2,1H3
InChIKeyBHBJCXGXUDTCDK-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.81
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 20612496) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID20612496
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5H2,1H3
InChIKeyBHBJCXGXUDTCDK-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.81
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 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 20612496) is 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BHBJCXGXUDTCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 165.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 20612496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).