4,4,4-trifluoro-2-methylbutanehydrazide

C5H9F3N2O — CID 130277603

IUPAC4,4,4-trifluoro-2-methylbutanehydrazide
SMILESCC(CC(F)(F)F)C(=O)NN
InChIInChI=1S/C5H9F3N2O/c1-3(4(11)10-9)2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyYSBGFDVPXJMODA-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.56
Rot. Bonds2

About 4,4,4-trifluoro-2-methylbutanehydrazide

4,4,4-trifluoro-2-methylbutanehydrazide (PubChem CID 130277603) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methylbutanehydrazide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methylbutanehydrazide
PubChem CID130277603
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name4,4,4-trifluoro-2-methylbutanehydrazide
SMILESCC(CC(F)(F)F)C(=O)NN
InChIInChI=1S/C5H9F3N2O/c1-3(4(11)10-9)2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyYSBGFDVPXJMODA-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 4,4,4-trifluoro-2-methylbutanehydrazide?
The IUPAC name of 4,4,4-trifluoro-2-methylbutanehydrazide (CID 130277603) is 4,4,4-trifluoro-2-methylbutanehydrazide.
What is the SMILES notation for 4,4,4-trifluoro-2-methylbutanehydrazide?
The canonical SMILES for 4,4,4-trifluoro-2-methylbutanehydrazide is CC(CC(F)(F)F)C(=O)NN.
What is the InChIKey of 4,4,4-trifluoro-2-methylbutanehydrazide?
The InChIKey is YSBGFDVPXJMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-3(4(11)10-9)2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 4,4,4-trifluoro-2-methylbutanehydrazide?
4,4,4-trifluoro-2-methylbutanehydrazide has a molecular weight of 170.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methylbutanehydrazide is sourced from PubChem (CID 130277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).