2,2,2-trifluoro-N,N'-dimethylacetohydrazide

C4H7F3N2O — CID 12596296

IUPAC2,2,2-trifluoro-N,N'-dimethylacetohydrazide
SMILESCNN(C)C(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c1-8-9(2)3(10)4(5,6)7/h8H,1-2H3
InChIKeyWNRIACHLYZMQRH-UHFFFAOYSA-N
MW156.11 g/mol
LogP0.14
Rot. Bonds1

About 2,2,2-trifluoro-N,N'-dimethylacetohydrazide

2,2,2-trifluoro-N,N'-dimethylacetohydrazide (PubChem CID 12596296) has the molecular formula C4H7F3N2O and a molecular weight of 156.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N'-dimethylacetohydrazide
PubChem CID12596296
Molecular FormulaC4H7F3N2O
Molecular Weight156.11 g/mol
Exact Mass156.05
IUPAC Name2,2,2-trifluoro-N,N'-dimethylacetohydrazide
SMILESCNN(C)C(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c1-8-9(2)3(10)4(5,6)7/h8H,1-2H3
InChIKeyWNRIACHLYZMQRH-UHFFFAOYSA-N
XLogP0.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N'-dimethylacetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N,N'-dimethylacetohydrazide (CID 12596296) is 2,2,2-trifluoro-N,N'-dimethylacetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N,N'-dimethylacetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N,N'-dimethylacetohydrazide is CNN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N'-dimethylacetohydrazide?
The InChIKey is WNRIACHLYZMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O/c1-8-9(2)3(10)4(5,6)7/h8H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N'-dimethylacetohydrazide?
2,2,2-trifluoro-N,N'-dimethylacetohydrazide has a molecular weight of 156.11 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N'-dimethylacetohydrazide is sourced from PubChem (CID 12596296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).