N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

C11H13ClF6N2O2 — CID 146102052

IUPACN-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cl)C(=O)N1CC(NC(=O)C(F)(F)F)CCC1C(F)(F)F
InChIInChI=1S/C11H13ClF6N2O2/c1-5(12)8(21)20-4-6(19-9(22)11(16,17)18)2-3-7(20)10(13,14)15/h5-7H,2-4H2,1H3,(H,19,22)
InChIKeyJRFKYJWQVXLLCA-UHFFFAOYSA-N
MW354.68 g/mol
LogP2.21
Rot. Bonds2

About N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 146102052) has the molecular formula C11H13ClF6N2O2 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID146102052
Molecular FormulaC11H13ClF6N2O2
Molecular Weight354.68 g/mol
Exact Mass354.06
IUPAC NameN-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(Cl)C(=O)N1CC(NC(=O)C(F)(F)F)CCC1C(F)(F)F
InChIInChI=1S/C11H13ClF6N2O2/c1-5(12)8(21)20-4-6(19-9(22)11(16,17)18)2-3-7(20)10(13,14)15/h5-7H,2-4H2,1H3,(H,19,22)
InChIKeyJRFKYJWQVXLLCA-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 146102052) is N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is CC(Cl)C(=O)N1CC(NC(=O)C(F)(F)F)CCC1C(F)(F)F.
What is the InChIKey of N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JRFKYJWQVXLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF6N2O2/c1-5(12)8(21)20-4-6(19-9(22)11(16,17)18)2-3-7(20)10(13,14)15/h5-7H,2-4H2,1H3,(H,19,22).
What are the key properties of N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 354.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 146102052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).