N'-(2,2,2-trifluoroacetyl)butanehydrazide

C6H9F3N2O2 — CID 54493265

IUPACN'-(2,2,2-trifluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-2-3-4(12)10-11-5(13)6(7,8)9/h2-3H2,1H3,(H,10,12)(H,11,13)
InChIKeyPOANSVJWORXRJZ-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.50
Rot. Bonds2

About N'-(2,2,2-trifluoroacetyl)butanehydrazide

N'-(2,2,2-trifluoroacetyl)butanehydrazide (PubChem CID 54493265) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroacetyl)butanehydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroacetyl)butanehydrazide
PubChem CID54493265
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC NameN'-(2,2,2-trifluoroacetyl)butanehydrazide
SMILESCCCC(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-2-3-4(12)10-11-5(13)6(7,8)9/h2-3H2,1H3,(H,10,12)(H,11,13)
InChIKeyPOANSVJWORXRJZ-UHFFFAOYSA-N
XLogP0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 N'-(2,2,2-trifluoroacetyl)butanehydrazide?
The IUPAC name of N'-(2,2,2-trifluoroacetyl)butanehydrazide (CID 54493265) is N'-(2,2,2-trifluoroacetyl)butanehydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroacetyl)butanehydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroacetyl)butanehydrazide is CCCC(=O)NNC(=O)C(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroacetyl)butanehydrazide?
The InChIKey is POANSVJWORXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-2-3-4(12)10-11-5(13)6(7,8)9/h2-3H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2,2,2-trifluoroacetyl)butanehydrazide?
N'-(2,2,2-trifluoroacetyl)butanehydrazide has a molecular weight of 198.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroacetyl)butanehydrazide is sourced from PubChem (CID 54493265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).