N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H8Cl2F3NO — CID 62491259

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(8(12)5-7)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVEPPWJCXQBXVIS-UHFFFAOYSA-N
MW286.08 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 62491259) has the molecular formula C10H8Cl2F3NO and a molecular weight of 286.08 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID62491259
Molecular FormulaC10H8Cl2F3NO
Molecular Weight286.08 g/mol
Exact Mass284.99
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(8(12)5-7)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVEPPWJCXQBXVIS-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 62491259) is N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VEPPWJCXQBXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO/c11-7-2-1-6(8(12)5-7)3-4-16-9(17)10(13,14)15/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 286.08 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62491259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).