N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide

C11H11ClF3NO — CID 62729344

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(16-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyLRKIGTGMKSFMDE-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 62729344) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID62729344
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cc1ccccc1Cl)NC(=O)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(16-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyLRKIGTGMKSFMDE-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 62729344) is N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide is CC(Cc1ccccc1Cl)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LRKIGTGMKSFMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(16-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 265.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62729344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).