2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C11H12F3NO2 — CID 81387957

IUPAC2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-10(16)11(12,13)14)8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyQVYAEANAOYKSCB-SSDOTTSWSA-N
MW247.22 g/mol
LogP2.43
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 81387957) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID81387957
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-10(16)11(12,13)14)8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyQVYAEANAOYKSCB-SSDOTTSWSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589076

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 81387957) is 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is QVYAEANAOYKSCB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(15-10(16)11(12,13)14)8-5-3-4-6-9(8)17-2/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 81387957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).