(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide

C11H14F3NO2S — CID 51727166

IUPAC(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-7(9-4-3-5-18-9)15-10(16)8(2)17-6-11(12,13)14/h3-5,7-8H,6H2,1-2H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyKEFCHFFNVFAJGQ-HTQZYQBOSA-N
MW281.30 g/mol
LogP2.89
Rot. Bonds5

About (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51727166) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51727166
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-7(9-4-3-5-18-9)15-10(16)8(2)17-6-11(12,13)14/h3-5,7-8H,6H2,1-2H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyKEFCHFFNVFAJGQ-HTQZYQBOSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 51727166) is (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)N[C@H](C)c1cccs1.
What is the InChIKey of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is KEFCHFFNVFAJGQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7(9-4-3-5-18-9)15-10(16)8(2)17-6-11(12,13)14/h3-5,7-8H,6H2,1-2H3,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 281.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51727166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).