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

C7H7F4N — CID 153026525

IUPAC5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(F)CC(C(F)(F)F)C=N1
InChIInChI=1S/C7H7F4N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h3,5H,2H2,1H3
InChIKeyVCYXMHVZNPSDNJ-UHFFFAOYSA-N
MW181.13 g/mol
LogP2.84
Rot. Bonds

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

5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 153026525) has the molecular formula C7H7F4N and a molecular weight of 181.13 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID153026525
Molecular FormulaC7H7F4N
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C(F)CC(C(F)(F)F)C=N1
InChIInChI=1S/C7H7F4N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h3,5H,2H2,1H3
InChIKeyVCYXMHVZNPSDNJ-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine (CID 153026525) is 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine is CC1=C(F)CC(C(F)(F)F)C=N1.
What is the InChIKey of 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is VCYXMHVZNPSDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N/c1-4-6(8)2-5(3-12-4)7(9,10)11/h3,5H,2H2,1H3.
What are the key properties of 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine?
5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 181.13 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 153026525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).