5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine

C6H8F3N3 — CID 162597453

IUPAC5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine
SMILESC=NN=C(C=C(C)N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(10)3-5(12-11-2)6(7,8)9/h3H,2,10H2,1H3
InChIKeyILWAZWDDYQNRQO-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.47
Rot. Bonds2

About 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine

5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine (PubChem CID 162597453) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine
PubChem CID162597453
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine
SMILESC=NN=C(C=C(C)N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(10)3-5(12-11-2)6(7,8)9/h3H,2,10H2,1H3
InChIKeyILWAZWDDYQNRQO-UHFFFAOYSA-N
XLogP1.47
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine?
The IUPAC name of 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine (CID 162597453) is 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine?
The canonical SMILES for 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine is C=NN=C(C=C(C)N)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine?
The InChIKey is ILWAZWDDYQNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4(10)3-5(12-11-2)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine?
5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine has a molecular weight of 179.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine is sourced from PubChem (CID 162597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).