N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide

C11H11ClF3NO2 — CID 56795266

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-18-6-9(17)16-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyIXFKEALKHBTOFF-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide (PubChem CID 56795266) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide
PubChem CID56795266
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-18-6-9(17)16-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyIXFKEALKHBTOFF-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide (CID 56795266) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide is COCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide?
The InChIKey is IXFKEALKHBTOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-18-6-9(17)16-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide has a molecular weight of 281.66 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-methoxyacetamide is sourced from PubChem (CID 56795266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).