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

C6H9ClF3NO — CID 60892531

IUPAC2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H9ClF3NO/c1-4(7)5(12)11(2)3-6(8,9)10/h4H,3H2,1-2H3
InChIKeyJCKZEPWBVVAZCT-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.63
Rot. Bonds2

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

2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60892531) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60892531
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H9ClF3NO/c1-4(7)5(12)11(2)3-6(8,9)10/h4H,3H2,1-2H3
InChIKeyJCKZEPWBVVAZCT-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.63
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)propanamide?
The IUPAC name of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60892531) is 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(Cl)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JCKZEPWBVVAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO/c1-4(7)5(12)11(2)3-6(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 203.59 g/mol, XLogP of 1.63, 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)propanamide is sourced from PubChem (CID 60892531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).