1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C8H12F3N — CID 147185667

IUPAC1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CC=C(C(F)(F)F)CN1C
InChIInChI=1S/C8H12F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h4,6H,3,5H2,1-2H3
InChIKeyCAKWNJFDGYFFOE-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds

About 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 147185667) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID147185667
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CC=C(C(F)(F)F)CN1C
InChIInChI=1S/C8H12F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h4,6H,3,5H2,1-2H3
InChIKeyCAKWNJFDGYFFOE-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 147185667) is 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC1CC=C(C(F)(F)F)CN1C.
What is the InChIKey of 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CAKWNJFDGYFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6-3-4-7(5-12(6)2)8(9,10)11/h4,6H,3,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 147185667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).