N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide

C6H8F4N2O2 — CID 2168339

IUPACN-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCNC(=O)C(F)F)C(F)F
InChIInChI=1S/C6H8F4N2O2/c7-3(8)5(13)11-1-2-12-6(14)4(9)10/h3-4H,1-2H2,(H,11,13)(H,12,14)
InChIKeyVGCUSSNRONFNFZ-UHFFFAOYSA-N
MW216.13 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide

N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide (PubChem CID 2168339) has the molecular formula C6H8F4N2O2 and a molecular weight of 216.13 g/mol. Its IUPAC name is N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide
PubChem CID2168339
Molecular FormulaC6H8F4N2O2
Molecular Weight216.13 g/mol
Exact Mass216.05
IUPAC NameN-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCNC(=O)C(F)F)C(F)F
InChIInChI=1S/C6H8F4N2O2/c7-3(8)5(13)11-1-2-12-6(14)4(9)10/h3-4H,1-2H2,(H,11,13)(H,12,14)
InChIKeyVGCUSSNRONFNFZ-UHFFFAOYSA-N
XLogP-0.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide (CID 2168339) is N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide is O=C(NCCNC(=O)C(F)F)C(F)F.
What is the InChIKey of N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide?
The InChIKey is VGCUSSNRONFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2O2/c7-3(8)5(13)11-1-2-12-6(14)4(9)10/h3-4H,1-2H2,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide?
N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide has a molecular weight of 216.13 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 2168339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).