2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

C8H12ClF3N2O2 — CID 60810162

IUPAC2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C8H12ClF3N2O2/c1-13(2)7(16)4-14(6(15)3-9)5-8(10,11)12/h3-5H2,1-2H3
InChIKeyFTZHNFGRSXGRLO-UHFFFAOYSA-N
MW260.64 g/mol
LogP0.70
Rot. Bonds4

About 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 60810162) has the molecular formula C8H12ClF3N2O2 and a molecular weight of 260.64 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID60810162
Molecular FormulaC8H12ClF3N2O2
Molecular Weight260.64 g/mol
Exact Mass260.05
IUPAC Name2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C8H12ClF3N2O2/c1-13(2)7(16)4-14(6(15)3-9)5-8(10,11)12/h3-5H2,1-2H3
InChIKeyFTZHNFGRSXGRLO-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 60810162) is 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is FTZHNFGRSXGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3N2O2/c1-13(2)7(16)4-14(6(15)3-9)5-8(10,11)12/h3-5H2,1-2H3.
What are the key properties of 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 260.64 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60810162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).