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

C7H8F3N — CID 134593924

IUPAC6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(C(F)(F)F)CCC=N1
InChIInChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h4H,2-3H2,1H3
InChIKeyHPOQIDJPVOIDOA-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.69
Rot. Bonds

About 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine

6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 134593924) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID134593924
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(C(F)(F)F)CCC=N1
InChIInChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h4H,2-3H2,1H3
InChIKeyHPOQIDJPVOIDOA-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine (CID 134593924) is 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine is CC1=C(C(F)(F)F)CCC=N1.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is HPOQIDJPVOIDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5-6(7(8,9)10)3-2-4-11-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine?
6-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 6-methyl-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 134593924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).