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

C10H18F3N — CID 176934501

IUPACethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N.C2H6/c1-7-3-2-4-12(5-7)6-8(9,10)11;1-2/h3H,2,4-6H2,1H3;1-2H3
InChIKeyHSSMKPXNGDNYCP-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.23
Rot. Bonds1

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

ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 176934501) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID176934501
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Nameethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H12F3N.C2H6/c1-7-3-2-4-12(5-7)6-8(9,10)11;1-2/h3H,2,4-6H2,1H3;1-2H3
InChIKeyHSSMKPXNGDNYCP-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
CID 54504163
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
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetonitrile
CID 87995250
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
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 176934501) is ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC.CC1=CCCN(CC(F)(F)F)C1.
What is the InChIKey of ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HSSMKPXNGDNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N.C2H6/c1-7-3-2-4-12(5-7)6-8(9,10)11;1-2/h3H,2,4-6H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 209.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176934501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).