2,2,2-trifluoro-N-methylacetohydrazide

C3H5F3N2O — CID 101065480

IUPAC2,2,2-trifluoro-N-methylacetohydrazide
SMILESCN(N)C(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O/c1-8(7)2(9)3(4,5)6/h7H2,1H3
InChIKeyGRVQNUKLGXWBNL-UHFFFAOYSA-N
MW142.08 g/mol
LogP-0.12
Rot. Bonds

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

2,2,2-trifluoro-N-methylacetohydrazide (PubChem CID 101065480) 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 CID101065480
Molecular FormulaC3H5F3N2O
Molecular Weight142.08 g/mol
Exact Mass142.04
IUPAC Name2,2,2-trifluoro-N-methylacetohydrazide
SMILESCN(N)C(=O)C(F)(F)F
InChIInChI=1S/C3H5F3N2O/c1-8(7)2(9)3(4,5)6/h7H2,1H3
InChIKeyGRVQNUKLGXWBNL-UHFFFAOYSA-N
XLogP-0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2,2,2-trifluoro-N-methylacetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N-methylacetohydrazide (CID 101065480) 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 CN(N)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylacetohydrazide?
The InChIKey is GRVQNUKLGXWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2O/c1-8(7)2(9)3(4,5)6/h7H2,1H3.
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 -0.12, 0 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-methylacetohydrazide is sourced from PubChem (CID 101065480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).