N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide

C11H12F3NO2 — CID 54530535

IUPACN-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide
SMILESCC(=O)NO[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-7(17-15-8(2)16)9-3-5-10(6-4-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyYWFDBSHMAPEILE-ZETCQYMHSA-N
MW247.22 g/mol
LogP2.83
Rot. Bonds3

About N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide

N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide (PubChem CID 54530535) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide
PubChem CID54530535
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide
SMILESCC(=O)NO[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-7(17-15-8(2)16)9-3-5-10(6-4-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m0/s1
InChIKeyYWFDBSHMAPEILE-ZETCQYMHSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 72707669
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CID 19596543
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CID 140555340
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CID 10867762
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CID 5129184
CID 5129184
CID 18327285
CID 18327285
CID 15789475
CID 15789475
CID 17783819
CID 17783819
CID 17783821
CID 17783821
CID 19596619
CID 19596619
CID 20690584
CID 20690584
CID 22066817
CID 22066817

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide?
The IUPAC name of N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide (CID 54530535) is N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide is CC(=O)NO[C@@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide?
The InChIKey is YWFDBSHMAPEILE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(17-15-8(2)16)9-3-5-10(6-4-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide?
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]acetamide is sourced from PubChem (CID 54530535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).