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

C6H8Cl2F3NO — CID 12769780

IUPAC2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(Cl)Cl
InChIInChI=1S/C6H8Cl2F3NO/c1-2-12(3-6(9,10)11)5(13)4(7)8/h4H,2-3H2,1H3
InChIKeyHFBQWFJHJKGRMX-UHFFFAOYSA-N
MW238.04 g/mol
LogP2.20
Rot. Bonds3

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

2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 12769780) has the molecular formula C6H8Cl2F3NO and a molecular weight of 238.04 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID12769780
Molecular FormulaC6H8Cl2F3NO
Molecular Weight238.04 g/mol
Exact Mass236.99
IUPAC Name2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(Cl)Cl
InChIInChI=1S/C6H8Cl2F3NO/c1-2-12(3-6(9,10)11)5(13)4(7)8/h4H,2-3H2,1H3
InChIKeyHFBQWFJHJKGRMX-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 52.20
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 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 12769780) is 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HFBQWFJHJKGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2F3NO/c1-2-12(3-6(9,10)11)5(13)4(7)8/h4H,2-3H2,1H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.04 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 12769780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).