6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile

C13H15F5N2 — CID 67937159

IUPAC6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile
SMILESCCCC1C(C#N)=C(C(F)F)N=C(C(F)(F)F)C1CC
InChIInChI=1S/C13H15F5N2/c1-3-5-8-7(4-2)11(13(16,17)18)20-10(12(14)15)9(8)6-19/h7-8,12H,3-5H2,1-2H3
InChIKeyDQPQNTWZGCBBQH-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.49
Rot. Bonds4

About 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile

6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile (PubChem CID 67937159) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile
PubChem CID67937159
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile
SMILESCCCC1C(C#N)=C(C(F)F)N=C(C(F)(F)F)C1CC
InChIInChI=1S/C13H15F5N2/c1-3-5-8-7(4-2)11(13(16,17)18)20-10(12(14)15)9(8)6-19/h7-8,12H,3-5H2,1-2H3
InChIKeyDQPQNTWZGCBBQH-UHFFFAOYSA-N
XLogP4.49
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile (CID 67937159) is 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile is CCCC1C(C#N)=C(C(F)F)N=C(C(F)(F)F)C1CC.
What is the InChIKey of 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is DQPQNTWZGCBBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2/c1-3-5-8-7(4-2)11(13(16,17)18)20-10(12(14)15)9(8)6-19/h7-8,12H,3-5H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile?
6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 294.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 67937159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).