2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide

C4H6F3N3O2 — CID 39733607

IUPAC2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide
SMILESNNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3N3O2/c5-4(6,7)3(12)9-1-2(11)10-8/h1,8H2,(H,9,12)(H,10,11)
InChIKeyCDPNXNFEKALHDU-UHFFFAOYSA-N
MW185.10 g/mol
LogP-1.35
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide

2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide (PubChem CID 39733607) has the molecular formula C4H6F3N3O2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide
PubChem CID39733607
Molecular FormulaC4H6F3N3O2
Molecular Weight185.10 g/mol
Exact Mass185.04
IUPAC Name2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide
SMILESNNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3N3O2/c5-4(6,7)3(12)9-1-2(11)10-8/h1,8H2,(H,9,12)(H,10,11)
InChIKeyCDPNXNFEKALHDU-UHFFFAOYSA-N
XLogP-1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydrazinyl-2-oxoethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide (CID 39733607) is 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide is NNC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide?
The InChIKey is CDPNXNFEKALHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N3O2/c5-4(6,7)3(12)9-1-2(11)10-8/h1,8H2,(H,9,12)(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide?
2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide has a molecular weight of 185.10 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydrazinyl-2-oxoethyl)acetamide is sourced from PubChem (CID 39733607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).