2,2,2-trifluoro-N'-methylacetohydrazide

C3H5F3N2O — CID 12557542

IUPAC2,2,2-trifluoro-N'-methylacetohydrazide
SMILESCNNC(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O/c1-7-8-2(9)3(4,5)6/h7H,1H3,(H,8,9)
InChIKeyNNIIAUGSFRPBMH-UHFFFAOYSA-N
MW142.08 g/mol
LogP-0.20
Rot. Bonds1

About 2,2,2-trifluoro-N'-methylacetohydrazide

2,2,2-trifluoro-N'-methylacetohydrazide (PubChem CID 12557542) has the molecular formula C3H5F3N2O and a molecular weight of 142.08 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methylacetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methylacetohydrazide
PubChem CID12557542
Molecular FormulaC3H5F3N2O
Molecular Weight142.08 g/mol
Exact Mass142.04
IUPAC Name2,2,2-trifluoro-N'-methylacetohydrazide
SMILESCNNC(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O/c1-7-8-2(9)3(4,5)6/h7H,1H3,(H,8,9)
InChIKeyNNIIAUGSFRPBMH-UHFFFAOYSA-N
XLogP-0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N'-methylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-methylacetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-methylacetohydrazide (CID 12557542) is 2,2,2-trifluoro-N'-methylacetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methylacetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-methylacetohydrazide is CNNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methylacetohydrazide?
The InChIKey is NNIIAUGSFRPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2O/c1-7-8-2(9)3(4,5)6/h7H,1H3,(H,8,9).
What are the key properties of 2,2,2-trifluoro-N'-methylacetohydrazide?
2,2,2-trifluoro-N'-methylacetohydrazide has a molecular weight of 142.08 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methylacetohydrazide is sourced from PubChem (CID 12557542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).