2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine

C7H8F3N — CID 142966293

IUPAC2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyOLWVXHJDAOZGPX-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.69
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine

2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 142966293) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID142966293
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h4H,2-3H2,1H3
InChIKeyOLWVXHJDAOZGPX-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
1,1,1-trifluoro-N,5-dimethylhex-5-en-2-imine
CID 142966325
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
5-Fluoro-2-methyl-3,4-dihydropyridine
CID 143745504
2-Propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145484033
2,4-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 148775053
5-Ethyl-2-fluoro-3,4-dihydropyridine
CID 155485405
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
2,3-Difluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 163714678
2-Fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 166104278
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
CID 174319468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine (CID 142966293) is 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine is CC1=NC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is OLWVXHJDAOZGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 163.14 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 142966293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).