3,3,3-trifluoroprop-1-en-2-ylhydrazine

C3H5F3N2 — CID 130565025

IUPAC3,3,3-trifluoroprop-1-en-2-ylhydrazine
SMILESC=C(NN)C(F)(F)F
InChIInChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h8H,1,7H2
InChIKeyXMORBGZKUMPTKH-UHFFFAOYSA-N
MW126.08 g/mol
LogP0.53
Rot. Bonds1

About 3,3,3-trifluoroprop-1-en-2-ylhydrazine

3,3,3-trifluoroprop-1-en-2-ylhydrazine (PubChem CID 130565025) has the molecular formula C3H5F3N2 and a molecular weight of 126.08 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-ylhydrazine.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-ylhydrazine
PubChem CID130565025
Molecular FormulaC3H5F3N2
Molecular Weight126.08 g/mol
Exact Mass126.04
IUPAC Name3,3,3-trifluoroprop-1-en-2-ylhydrazine
SMILESC=C(NN)C(F)(F)F
InChIInChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h8H,1,7H2
InChIKeyXMORBGZKUMPTKH-UHFFFAOYSA-N
XLogP0.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3,3,3-trifluoroprop-1-en-2-ylhydrazine?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-ylhydrazine (CID 130565025) is 3,3,3-trifluoroprop-1-en-2-ylhydrazine.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-ylhydrazine?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-ylhydrazine is C=C(NN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-ylhydrazine?
The InChIKey is XMORBGZKUMPTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h8H,1,7H2.
What are the key properties of 3,3,3-trifluoroprop-1-en-2-ylhydrazine?
3,3,3-trifluoroprop-1-en-2-ylhydrazine has a molecular weight of 126.08 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-ylhydrazine is sourced from PubChem (CID 130565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).