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

C8H5F5N2O2 — CID 3248816

IUPAC2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
SMILESNNC(=O)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5N2O2/c9-3-4(10)6(12)8(7(13)5(3)11)17-1-2(16)15-14/h1,14H2,(H,15,16)
InChIKeyDIAULXZUNNOHLK-UHFFFAOYSA-N
MW256.13 g/mol
LogP0.75
Rot. Bonds3

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

2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide (PubChem CID 3248816) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
PubChem CID3248816
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
SMILESNNC(=O)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5N2O2/c9-3-4(10)6(12)8(7(13)5(3)11)17-1-2(16)15-14/h1,14H2,(H,15,16)
InChIKeyDIAULXZUNNOHLK-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide
CID 63570877
2-(2,4,6-triiodophenoxy)acetohydrazide
CID 63576981
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
CID 4513854
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
CID 54793109
ethyl 2-[ethyl-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]acetate
CID 170570488
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
(2,3,4,5,6-pentafluorophenoxy)methanol
CID 87333321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide (CID 3248816) is 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide is NNC(=O)COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide?
The InChIKey is DIAULXZUNNOHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c9-3-4(10)6(12)8(7(13)5(3)11)17-1-2(16)15-14/h1,14H2,(H,15,16).
What are the key properties of 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide?
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide has a molecular weight of 256.13 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide is sourced from PubChem (CID 3248816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).