2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide

C6H12F3N3O — CID 11075398

IUPAC2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide
SMILESNNCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)11-3-1-2-4-12-10/h12H,1-4,10H2,(H,11,13)
InChIKeySPBIJQBJLYBESL-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.09
Rot. Bonds5

About 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide

2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide (PubChem CID 11075398) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide
PubChem CID11075398
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide
SMILESNNCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H12F3N3O/c7-6(8,9)5(13)11-3-1-2-4-12-10/h12H,1-4,10H2,(H,11,13)
InChIKeySPBIJQBJLYBESL-UHFFFAOYSA-N
XLogP-0.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-hydrazinylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide (CID 11075398) is 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide is NNCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide?
The InChIKey is SPBIJQBJLYBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c7-6(8,9)5(13)11-3-1-2-4-12-10/h12H,1-4,10H2,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide?
2,2,2-trifluoro-N-(4-hydrazinylbutyl)acetamide has a molecular weight of 199.18 g/mol, XLogP of -0.09, 5 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-(4-hydrazinylbutyl)acetamide is sourced from PubChem (CID 11075398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).