1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C8H12F3N — CID 117205566

IUPAC1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-12-4-2-3-7(6-12)5-8(9,10)11/h3H,2,4-6H2,1H3
InChIKeyBJAIZKNBLNFYEU-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds1

About 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 117205566) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID117205566
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-12-4-2-3-7(6-12)5-8(9,10)11/h3H,2,4-6H2,1H3
InChIKeyBJAIZKNBLNFYEU-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 117205570
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777
N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 117205559
5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 14615850
O-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]hydroxylamine
CID 117206000
1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
CID 57152000
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 139581381
1-propan-2-yl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205459
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 168995095
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
CID 117205922
1-methyl-5-(prop-2-ynoxymethyl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 117069152
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate
CID 54494276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 117205566) is 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CN1CCC=C(CC(F)(F)F)C1.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BJAIZKNBLNFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-12-4-2-3-7(6-12)5-8(9,10)11/h3H,2,4-6H2,1H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).