(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol

C5H8F3N3O — CID 169172640

IUPAC(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol
SMILESN/N=C(\C=N\CC(F)(F)F)CO
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)3-10-1-4(2-12)11-9/h1,12H,2-3,9H2/b10-1+,11-4+
InChIKeyZFEINPOFZAFLIG-WAOBYQKBSA-N
MW183.13 g/mol
LogP-0.07
Rot. Bonds3

About (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol

(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol (PubChem CID 169172640) has the molecular formula C5H8F3N3O and a molecular weight of 183.13 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol
PubChem CID169172640
Molecular FormulaC5H8F3N3O
Molecular Weight183.13 g/mol
Exact Mass183.06
IUPAC Name(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol
SMILESN/N=C(\C=N\CC(F)(F)F)CO
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)3-10-1-4(2-12)11-9/h1,12H,2-3,9H2/b10-1+,11-4+
InChIKeyZFEINPOFZAFLIG-WAOBYQKBSA-N
XLogP-0.07
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol?
The IUPAC name of (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol (CID 169172640) is (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol.
What is the SMILES notation for (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol?
The canonical SMILES for (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol is N/N=C(\C=N\CC(F)(F)F)CO.
What is the InChIKey of (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol?
The InChIKey is ZFEINPOFZAFLIG-WAOBYQKBSA-N. The full InChI is InChI=1S/C5H8F3N3O/c6-5(7,8)3-10-1-4(2-12)11-9/h1,12H,2-3,9H2/b10-1+,11-4+.
What are the key properties of (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol?
(2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol has a molecular weight of 183.13 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propan-1-ol is sourced from PubChem (CID 169172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).