5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide

C11H11F5N2O2 — CID 63570877

IUPAC5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O2/c12-6-7(13)9(15)11(10(16)8(6)14)20-4-2-1-3-5(19)18-17/h1-4,17H2,(H,18,19)
InChIKeyUGMJLKDDJOZPJJ-UHFFFAOYSA-N
MW298.21 g/mol
LogP1.92
Rot. Bonds6

About 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide

5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide (PubChem CID 63570877) has the molecular formula C11H11F5N2O2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide
PubChem CID63570877
Molecular FormulaC11H11F5N2O2
Molecular Weight298.21 g/mol
Exact Mass298.07
IUPAC Name5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O2/c12-6-7(13)9(15)11(10(16)8(6)14)20-4-2-1-3-5(19)18-17/h1-4,17H2,(H,18,19)
InChIKeyUGMJLKDDJOZPJJ-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 51.92
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
CID 3248816
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
hexanedihydrazide;pentanedihydrazide
CID 157195533
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
1-O-heptyl 4-O-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl] butanedioate
CID 91738049
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
8-(5-formyl-2,3-dioctoxyphenoxy)octanehydrazide
CID 173199656
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide?
The IUPAC name of 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide (CID 63570877) is 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide.
What is the SMILES notation for 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide?
The canonical SMILES for 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide is NNC(=O)CCCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide?
The InChIKey is UGMJLKDDJOZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O2/c12-6-7(13)9(15)11(10(16)8(6)14)20-4-2-1-3-5(19)18-17/h1-4,17H2,(H,18,19).
What are the key properties of 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide?
5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide has a molecular weight of 298.21 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide is sourced from PubChem (CID 63570877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).