1,1,1-trifluoropropan-2-ylidenehydrazine

C3H5F3N2 — CID 59016631

IUPAC1,1,1-trifluoropropan-2-ylidenehydrazine
SMILESCC(=NN)C(F)(F)F
InChIInChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h7H2,1H3
InChIKeyZBDUTZMCNYPZLS-UHFFFAOYSA-N
MW126.08 g/mol
LogP0.88
Rot. Bonds

About 1,1,1-trifluoropropan-2-ylidenehydrazine

1,1,1-trifluoropropan-2-ylidenehydrazine (PubChem CID 59016631) has the molecular formula C3H5F3N2 and a molecular weight of 126.08 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-ylidenehydrazine.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-ylidenehydrazine
PubChem CID59016631
Molecular FormulaC3H5F3N2
Molecular Weight126.08 g/mol
Exact Mass126.04
IUPAC Name1,1,1-trifluoropropan-2-ylidenehydrazine
SMILESCC(=NN)C(F)(F)F
InChIInChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h7H2,1H3
InChIKeyZBDUTZMCNYPZLS-UHFFFAOYSA-N
XLogP0.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1,1-trifluoropropan-2-ylidenehydrazine?
The IUPAC name of 1,1,1-trifluoropropan-2-ylidenehydrazine (CID 59016631) is 1,1,1-trifluoropropan-2-ylidenehydrazine.
What is the SMILES notation for 1,1,1-trifluoropropan-2-ylidenehydrazine?
The canonical SMILES for 1,1,1-trifluoropropan-2-ylidenehydrazine is CC(=NN)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-ylidenehydrazine?
The InChIKey is ZBDUTZMCNYPZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2/c1-2(8-7)3(4,5)6/h7H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-ylidenehydrazine?
1,1,1-trifluoropropan-2-ylidenehydrazine has a molecular weight of 126.08 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-ylidenehydrazine is sourced from PubChem (CID 59016631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).