2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide

C10H11F3N2O2 — CID 58243616

IUPAC2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide
SMILESCC(C)(Oc1c(F)cc(F)cc1F)C(=O)NN
InChIInChI=1S/C10H11F3N2O2/c1-10(2,9(16)15-14)17-8-6(12)3-5(11)4-7(8)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyLDNQKHHTBUZLOO-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.25
Rot. Bonds3

About 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide

2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide (PubChem CID 58243616) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide
PubChem CID58243616
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide
SMILESCC(C)(Oc1c(F)cc(F)cc1F)C(=O)NN
InChIInChI=1S/C10H11F3N2O2/c1-10(2,9(16)15-14)17-8-6(12)3-5(11)4-7(8)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyLDNQKHHTBUZLOO-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide?
The IUPAC name of 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide (CID 58243616) is 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide.
What is the SMILES notation for 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide?
The canonical SMILES for 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide is CC(C)(Oc1c(F)cc(F)cc1F)C(=O)NN.
What is the InChIKey of 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide?
The InChIKey is LDNQKHHTBUZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-10(2,9(16)15-14)17-8-6(12)3-5(11)4-7(8)13/h3-4H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide?
2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide has a molecular weight of 248.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,6-trifluorophenoxy)propanehydrazide is sourced from PubChem (CID 58243616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).