(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine

C8H11F3N2 — CID 123539659

IUPAC(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C(\N=C\CC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-13-7(5-6(2)12)8(9,10)11/h4-5,12H,3H2,1-2H3/b7-5-,12-6+,13-4+
InChIKeyHHKJLDUZACJQQW-YMXRGAKFSA-N
MW192.18 g/mol
LogP2.95
Rot. Bonds3

About (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine

(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine (PubChem CID 123539659) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
PubChem CID123539659
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C(\N=C\CC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-13-7(5-6(2)12)8(9,10)11/h4-5,12H,3H2,1-2H3/b7-5-,12-6+,13-4+
InChIKeyHHKJLDUZACJQQW-YMXRGAKFSA-N
XLogP2.95
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-N-propylidenepent-3-ene-2,4-diimine?
The IUPAC name of (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine (CID 123539659) is (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine is [H]/N=C(C)/C=C(\N=C\CC)C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine?
The InChIKey is HHKJLDUZACJQQW-YMXRGAKFSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-13-7(5-6(2)12)8(9,10)11/h4-5,12H,3H2,1-2H3/b7-5-,12-6+,13-4+.
What are the key properties of (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine?
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine has a molecular weight of 192.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine is sourced from PubChem (CID 123539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).