N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

C6H8ClF3N2O2 — CID 108570582

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2O2/c7-3-4(13)11-1-2-12-5(14)6(8,9)10/h1-3H2,(H,11,13)(H,12,14)
InChIKeyZALCNEBBPSHZFX-UHFFFAOYSA-N
MW232.59 g/mol
LogP0.02
Rot. Bonds4

About N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 108570582) has the molecular formula C6H8ClF3N2O2 and a molecular weight of 232.59 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID108570582
Molecular FormulaC6H8ClF3N2O2
Molecular Weight232.59 g/mol
Exact Mass232.02
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2O2/c7-3-4(13)11-1-2-12-5(14)6(8,9)10/h1-3H2,(H,11,13)(H,12,14)
InChIKeyZALCNEBBPSHZFX-UHFFFAOYSA-N
XLogP0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 108570582) is N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is O=C(CCl)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZALCNEBBPSHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3N2O2/c7-3-4(13)11-1-2-12-5(14)6(8,9)10/h1-3H2,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 232.59 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108570582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).