1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine

C4H6F3N3 — CID 149218968

IUPAC1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine
SMILESNN=CC=C(N)C(F)(F)F
InChIInChI=1S/C4H6F3N3/c5-4(6,7)3(8)1-2-10-9/h1-2H,8-9H2
InChIKeyKJVJJGFKNHEULH-UHFFFAOYSA-N
MW153.11 g/mol
LogP0.34
Rot. Bonds1

About 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine

1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine (PubChem CID 149218968) has the molecular formula C4H6F3N3 and a molecular weight of 153.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine
PubChem CID149218968
Molecular FormulaC4H6F3N3
Molecular Weight153.11 g/mol
Exact Mass153.05
IUPAC Name1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine
SMILESNN=CC=C(N)C(F)(F)F
InChIInChI=1S/C4H6F3N3/c5-4(6,7)3(8)1-2-10-9/h1-2H,8-9H2
InChIKeyKJVJJGFKNHEULH-UHFFFAOYSA-N
XLogP0.34
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine (CID 149218968) is 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine is NN=CC=C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine?
The InChIKey is KJVJJGFKNHEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N3/c5-4(6,7)3(8)1-2-10-9/h1-2H,8-9H2.
What are the key properties of 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine?
1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine has a molecular weight of 153.11 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-hydrazinylidenebut-2-en-2-amine is sourced from PubChem (CID 149218968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).