4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide

C8H13F3N2O2 — CID 151433488

IUPAC4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide
SMILESCC(C)CCC(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(2)3-4-6(14)12-13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPCZSQUDJMQZMGH-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.13
Rot. Bonds3

About 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide

4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide (PubChem CID 151433488) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide.

Molecular Properties

Compound Name4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide
PubChem CID151433488
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide
SMILESCC(C)CCC(=O)NNC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(2)3-4-6(14)12-13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPCZSQUDJMQZMGH-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.13
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 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide?
The IUPAC name of 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide (CID 151433488) is 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide.
What is the SMILES notation for 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide?
The canonical SMILES for 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide is CC(C)CCC(=O)NNC(=O)C(F)(F)F.
What is the InChIKey of 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide?
The InChIKey is PCZSQUDJMQZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-5(2)3-4-6(14)12-13-7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide?
4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide has a molecular weight of 226.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2,2,2-trifluoroacetyl)pentanehydrazide is sourced from PubChem (CID 151433488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).