2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide

C13H17F3N2O2 — CID 105351573

IUPAC2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(12(19)18-17)11-4-2-10(3-5-11)8-20-7-6-13(14,15)16/h2-5,9H,6-8,17H2,1H3,(H,18,19)
InChIKeyWNNKUPQSDQOYAJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide

2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide (PubChem CID 105351573) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
PubChem CID105351573
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(12(19)18-17)11-4-2-10(3-5-11)8-20-7-6-13(14,15)16/h2-5,9H,6-8,17H2,1H3,(H,18,19)
InChIKeyWNNKUPQSDQOYAJ-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
CID 105351507
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]acetic acid
CID 105345021
2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
CID 105352093
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]propanehydrazide
CID 105351973
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
2-[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]propanehydrazide
CID 105351499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide (CID 105351573) is 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COCCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide?
The InChIKey is WNNKUPQSDQOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(12(19)18-17)11-4-2-10(3-5-11)8-20-7-6-13(14,15)16/h2-5,9H,6-8,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide?
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide has a molecular weight of 290.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105351573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).