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

C5H7ClF3NO — CID 51889837

IUPAC2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C5H7ClF3NO/c1-10(4(11)2-6)3-5(7,8)9/h2-3H2,1H3
InChIKeyMTJCJMIEJODJJX-UHFFFAOYSA-N
MW189.56 g/mol
LogP1.25
Rot. Bonds2

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

2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51889837) has the molecular formula C5H7ClF3NO and a molecular weight of 189.56 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51889837
Molecular FormulaC5H7ClF3NO
Molecular Weight189.56 g/mol
Exact Mass189.02
IUPAC Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C5H7ClF3NO/c1-10(4(11)2-6)3-5(7,8)9/h2-3H2,1H3
InChIKeyMTJCJMIEJODJJX-UHFFFAOYSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.56
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 51889837) is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MTJCJMIEJODJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3NO/c1-10(4(11)2-6)3-5(7,8)9/h2-3H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 189.56 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51889837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).