2-(2,3,5,6-tetrafluorophenoxy)acetamide

C8H5F4NO2 — CID 2544338

IUPAC2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESNC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F4NO2/c9-3-1-4(10)7(12)8(6(3)11)15-2-5(13)14/h1H,2H2,(H2,13,14)
InChIKeyBDUVUABDLTWPCH-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.11
Rot. Bonds3

About 2-(2,3,5,6-tetrafluorophenoxy)acetamide

2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2544338) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2544338
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESNC(=O)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H5F4NO2/c9-3-1-4(10)7(12)8(6(3)11)15-2-5(13)14/h1H,2H2,(H2,13,14)
InChIKeyBDUVUABDLTWPCH-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2,3,5,6-tetrafluorophenoxy)pentan-2-one
CID 142460459
4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 17424462
2,4,5-trifluoro-3-(fluoromethoxy)benzamide
CID 86588500
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoate
CID 19298385
5-amino-6-oxo-7-(2,3,5,6-tetrafluorophenoxy)heptanoic acid
CID 155090138
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103288808
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
(E)-4-(2,3,5,6-tetrafluorophenoxy)but-2-enoic acid
CID 103288802
N-(2-amino-2-oxoethoxy)-3,4,5-trifluorobenzamide
CID 112619998

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of 2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2544338) is 2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for 2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for 2-(2,3,5,6-tetrafluorophenoxy)acetamide is NC(=O)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is BDUVUABDLTWPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-3-1-4(10)7(12)8(6(3)11)15-2-5(13)14/h1H,2H2,(H2,13,14).
What are the key properties of 2-(2,3,5,6-tetrafluorophenoxy)acetamide?
2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 223.12 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2544338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).