2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide

C4H2F6INO2 — CID 71331963

IUPAC2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide
SMILESNC(=O)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F6INO2/c5-2(6,1(12)13)14-4(9,10)3(7,8)11/h(H2,12,13)
InChIKeyKMQXXRJUVPBBNZ-UHFFFAOYSA-N
MW336.96 g/mol
LogP1.70
Rot. Bonds4

About 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide

2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide (PubChem CID 71331963) has the molecular formula C4H2F6INO2 and a molecular weight of 336.96 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide
PubChem CID71331963
Molecular FormulaC4H2F6INO2
Molecular Weight336.96 g/mol
Exact Mass336.90
IUPAC Name2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide
SMILESNC(=O)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F6INO2/c5-2(6,1(12)13)14-4(9,10)3(7,8)11/h(H2,12,13)
InChIKeyKMQXXRJUVPBBNZ-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.96
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide?
The IUPAC name of 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide (CID 71331963) is 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide?
The canonical SMILES for 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide is NC(=O)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide?
The InChIKey is KMQXXRJUVPBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6INO2/c5-2(6,1(12)13)14-4(9,10)3(7,8)11/h(H2,12,13).
What are the key properties of 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide?
2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide has a molecular weight of 336.96 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)acetamide is sourced from PubChem (CID 71331963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).