2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C12H14F4N2O2 — CID 78935841

IUPAC2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](N)c1ccc(F)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H14F4N2O2/c1-7(17)9-3-2-8(13)4-10(9)20-5-11(19)18-6-12(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyAHSSPDSVVXTIMX-SSDOTTSWSA-N
MW294.25 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78935841) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78935841
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](N)c1ccc(F)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H14F4N2O2/c1-7(17)9-3-2-8(13)4-10(9)20-5-11(19)18-6-12(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyAHSSPDSVVXTIMX-SSDOTTSWSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 78935744
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63650448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 78935841) is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H](N)c1ccc(F)cc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AHSSPDSVVXTIMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c1-7(17)9-3-2-8(13)4-10(9)20-5-11(19)18-6-12(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19)/t7-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78935841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).