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

C6H9ClF3NO — CID 59842833

IUPAC2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C6H9ClF3NO/c1-2-11(5(12)3-7)4-6(8,9)10/h2-4H2,1H3
InChIKeyWSCPWJANBHNLSY-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.64
Rot. Bonds3

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

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 59842833) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID59842833
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C6H9ClF3NO/c1-2-11(5(12)3-7)4-6(8,9)10/h2-4H2,1H3
InChIKeyWSCPWJANBHNLSY-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.64
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-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 59842833) is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WSCPWJANBHNLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO/c1-2-11(5(12)3-7)4-6(8,9)10/h2-4H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 203.59 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 59842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).