N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide

C4H4ClF3N2O2 — CID 23509338

IUPACN-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESNC(=O)C(Cl)NC(=O)C(F)(F)F
InChIInChI=1S/C4H4ClF3N2O2/c5-1(2(9)11)10-3(12)4(6,7)8/h1H,(H2,9,11)(H,10,12)
InChIKeyVRHODYAXODYZSF-UHFFFAOYSA-N
MW204.53 g/mol
LogP-0.28
Rot. Bonds2

About N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide

N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide (PubChem CID 23509338) has the molecular formula C4H4ClF3N2O2 and a molecular weight of 204.53 g/mol. Its IUPAC name is N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide
PubChem CID23509338
Molecular FormulaC4H4ClF3N2O2
Molecular Weight204.53 g/mol
Exact Mass203.99
IUPAC NameN-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide
SMILESNC(=O)C(Cl)NC(=O)C(F)(F)F
InChIInChI=1S/C4H4ClF3N2O2/c5-1(2(9)11)10-3(12)4(6,7)8/h1H,(H2,9,11)(H,10,12)
InChIKeyVRHODYAXODYZSF-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.53
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide (CID 23509338) is N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide is NC(=O)C(Cl)NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide?
The InChIKey is VRHODYAXODYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF3N2O2/c5-1(2(9)11)10-3(12)4(6,7)8/h1H,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide?
N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide has a molecular weight of 204.53 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-chloro-2-oxoethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23509338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).