(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine

C11H14F3N3 — CID 144984119

IUPAC(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C(F)(F)F)C1=CCN(C)CC1
InChIInChI=1S/C11H14F3N3/c1-17-6-4-8(5-7-17)9(15)2-3-10(16)11(12,13)14/h2-4,15-16H,5-7H2,1H3/b3-2-,15-9-,16-10-
InChIKeyGKTOXBXJQCVDNJ-NLEVYTJASA-N
MW245.25 g/mol
LogP2.41
Rot. Bonds3

About (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine

(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine (PubChem CID 144984119) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine
PubChem CID144984119
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C(F)(F)F)C1=CCN(C)CC1
InChIInChI=1S/C11H14F3N3/c1-17-6-4-8(5-7-17)9(15)2-3-10(16)11(12,13)14/h2-4,15-16H,5-7H2,1H3/b3-2-,15-9-,16-10-
InChIKeyGKTOXBXJQCVDNJ-NLEVYTJASA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine?
The IUPAC name of (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine (CID 144984119) is (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine?
The canonical SMILES for (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine is [H]/N=C(/C=C\C(=N\[H])C(F)(F)F)C1=CCN(C)CC1.
What is the InChIKey of (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine?
The InChIKey is GKTOXBXJQCVDNJ-NLEVYTJASA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17-6-4-8(5-7-17)9(15)2-3-10(16)11(12,13)14/h2-4,15-16H,5-7H2,1H3/b3-2-,15-9-,16-10-.
What are the key properties of (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine?
(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine has a molecular weight of 245.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine is sourced from PubChem (CID 144984119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).