N-(2,3,4,5,6-pentafluorophenoxy)acetamide

C8H4F5NO2 — CID 155817894

IUPACN-(2,3,4,5,6-pentafluorophenoxy)acetamide
SMILESCC(=O)NOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO2/c1-2(15)14-16-8-6(12)4(10)3(9)5(11)7(8)13/h1H3,(H,14,15)
InChIKeyUXMKBLDYQNCJCF-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.81
Rot. Bonds2

About N-(2,3,4,5,6-pentafluorophenoxy)acetamide

N-(2,3,4,5,6-pentafluorophenoxy)acetamide (PubChem CID 155817894) has the molecular formula C8H4F5NO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenoxy)acetamide
PubChem CID155817894
Molecular FormulaC8H4F5NO2
Molecular Weight241.11 g/mol
Exact Mass241.02
IUPAC NameN-(2,3,4,5,6-pentafluorophenoxy)acetamide
SMILESCC(=O)NOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO2/c1-2(15)14-16-8-6(12)4(10)3(9)5(11)7(8)13/h1H3,(H,14,15)
InChIKeyUXMKBLDYQNCJCF-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 N-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenoxy)acetamide (CID 155817894) is N-(2,3,4,5,6-pentafluorophenoxy)acetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenoxy)acetamide is CC(=O)NOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenoxy)acetamide?
The InChIKey is UXMKBLDYQNCJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c1-2(15)14-16-8-6(12)4(10)3(9)5(11)7(8)13/h1H3,(H,14,15).
What are the key properties of N-(2,3,4,5,6-pentafluorophenoxy)acetamide?
N-(2,3,4,5,6-pentafluorophenoxy)acetamide has a molecular weight of 241.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenoxy)acetamide is sourced from PubChem (CID 155817894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).