N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide

C8H4Cl2F3NO — CID 706871

IUPACN-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H4Cl2F3NO/c9-5-2-1-4(3-6(5)10)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyCEUUTXSUYHNAJK-UHFFFAOYSA-N
MW258.03 g/mol
LogP3.49
Rot. Bonds1

About N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide

N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 706871) has the molecular formula C8H4Cl2F3NO and a molecular weight of 258.03 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide
PubChem CID706871
Molecular FormulaC8H4Cl2F3NO
Molecular Weight258.03 g/mol
Exact Mass256.96
IUPAC NameN-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H4Cl2F3NO/c9-5-2-1-4(3-6(5)10)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyCEUUTXSUYHNAJK-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide (CID 706871) is N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is CEUUTXSUYHNAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3NO/c9-5-2-1-4(3-6(5)10)14-7(15)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide?
N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 258.03 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).