N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide

C11H11ClF3NO — CID 78324209

IUPACN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyVOTONCMMFAXFDL-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide

N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide (PubChem CID 78324209) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
PubChem CID78324209
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17)
InChIKeyVOTONCMMFAXFDL-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide (CID 78324209) is N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide is CC(=O)NC(CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The InChIKey is VOTONCMMFAXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(17)16-10(6-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide?
N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide has a molecular weight of 265.66 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3,3,3-trifluoropropyl]acetamide is sourced from PubChem (CID 78324209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).