N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide

C12H14F3NO2 — CID 3058195

IUPACN-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide
SMILESCCOC(c1ccc(NC(C)=O)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(12(13,14)15)9-4-6-10(7-5-9)16-8(2)17/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyRUQDTKUEPQQANL-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide

N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide (PubChem CID 3058195) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide
PubChem CID3058195
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide
SMILESCCOC(c1ccc(NC(C)=O)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(12(13,14)15)9-4-6-10(7-5-9)16-8(2)17/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyRUQDTKUEPQQANL-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide?
The IUPAC name of N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide (CID 3058195) is N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide is CCOC(c1ccc(NC(C)=O)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide?
The InChIKey is RUQDTKUEPQQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-18-11(12(13,14)15)9-4-6-10(7-5-9)16-8(2)17/h4-7,11H,3H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide?
N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethoxy-2,2,2-trifluoroethyl)phenyl]acetamide is sourced from PubChem (CID 3058195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).