(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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Related Compounds

(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol
CID 169172640
(2Z)-2-(1-hydrazinylpropyl)-N-(2,2,2-trifluoroethyl)penta-2,4-dien-1-imine
CID 163510304
(E)-3-amino-2-(2,2,2-trifluoroethyliminomethyl)prop-2-enal
CID 168930680
(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine
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2-(aminomethylidene)-3-(2,2,2-trifluoroethylimino)butanoic acid
CID 153085878
methyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 162589776
N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
CID 172941752
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one
CID 20694177
5-[(Z)-1-amino-3-methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-enyl]-N-cyclopropyl-6-fluoropyridin-2-amine
CID 156729966
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 168742254
N-(2,2-dimethylpropyl)-3-methylbut-2-en-1-imine
CID 138622945

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).