N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C11H12F3NO — CID 47004835

IUPACN-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(15-8(2)16)9-4-3-5-10(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyZLDMLIMVIUYQEV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.90
Rot. Bonds2

About N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 47004835) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID47004835
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(15-8(2)16)9-4-3-5-10(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyZLDMLIMVIUYQEV-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 47004835) is N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is ZLDMLIMVIUYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7(15-8(2)16)9-4-3-5-10(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 231.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 47004835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).