2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide

C4H6ClF3N2O — CID 141498796

IUPAC2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC(Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C4H6ClF3N2O/c5-2(9)3(11)10-1-4(6,7)8/h2H,1,9H2,(H,10,11)
InChIKeyMXUNQXVHNFEMRS-UHFFFAOYSA-N
MW190.55 g/mol
LogP0.19
Rot. Bonds2

About 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide

2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 141498796) has the molecular formula C4H6ClF3N2O and a molecular weight of 190.55 g/mol. Its IUPAC name is 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID141498796
Molecular FormulaC4H6ClF3N2O
Molecular Weight190.55 g/mol
Exact Mass190.01
IUPAC Name2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC(Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C4H6ClF3N2O/c5-2(9)3(11)10-1-4(6,7)8/h2H,1,9H2,(H,10,11)
InChIKeyMXUNQXVHNFEMRS-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.55
LogP ≤ 50.19
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 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide (CID 141498796) is 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide is NC(Cl)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MXUNQXVHNFEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3N2O/c5-2(9)3(11)10-1-4(6,7)8/h2H,1,9H2,(H,10,11).
What are the key properties of 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 190.55 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-chloro-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 141498796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).