(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine

C5H8F3N3 — CID 163372878

IUPAC(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC(/C=N/CC(F)(F)F)=N/N
InChIInChI=1S/C5H8F3N3/c1-4(11-9)2-10-3-5(6,7)8/h2H,3,9H2,1H3/b10-2+,11-4-
InChIKeyWJXRVJMUECRWMR-AVCVBVDRSA-N
MW167.13 g/mol
LogP0.95
Rot. Bonds2

About (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine

(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine (PubChem CID 163372878) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine
PubChem CID163372878
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC Name(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine
SMILESCC(/C=N/CC(F)(F)F)=N/N
InChIInChI=1S/C5H8F3N3/c1-4(11-9)2-10-3-5(6,7)8/h2H,3,9H2,1H3/b10-2+,11-4-
InChIKeyWJXRVJMUECRWMR-AVCVBVDRSA-N
XLogP0.95
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine?
The IUPAC name of (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine (CID 163372878) is (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine.
What is the SMILES notation for (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine?
The canonical SMILES for (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine is CC(/C=N/CC(F)(F)F)=N/N.
What is the InChIKey of (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine?
The InChIKey is WJXRVJMUECRWMR-AVCVBVDRSA-N. The full InChI is InChI=1S/C5H8F3N3/c1-4(11-9)2-10-3-5(6,7)8/h2H,3,9H2,1H3/b10-2+,11-4-.
What are the key properties of (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine?
(2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine has a molecular weight of 167.13 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-N-(2,2,2-trifluoroethyl)propan-1-imine is sourced from PubChem (CID 163372878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).