(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C13H14F3NO4 — CID 38884944

IUPAC(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14F3NO4/c1-8(21-7-13(14,15)16)12(18)17-9-2-3-10-11(6-9)20-5-4-19-10/h2-3,6,8H,4-5,7H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyPXZLEIGBIUJBBO-MRVPVSSYSA-N
MW305.25 g/mol
LogP2.36
Rot. Bonds4

About (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38884944) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38884944
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14F3NO4/c1-8(21-7-13(14,15)16)12(18)17-9-2-3-10-11(6-9)20-5-4-19-10/h2-3,6,8H,4-5,7H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyPXZLEIGBIUJBBO-MRVPVSSYSA-N
XLogP2.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 95593454
(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 95593455
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874730
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 42900718
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38884944) is (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PXZLEIGBIUJBBO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c1-8(21-7-13(14,15)16)12(18)17-9-2-3-10-11(6-9)20-5-4-19-10/h2-3,6,8H,4-5,7H2,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 305.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38884944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).