N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O3 — CID 113368805

IUPACN-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(CNC(=O)CNCC(F)(F)F)OC
InChIInChI=1S/C9H17F3N2O3/c1-16-5-7(17-2)3-14-8(15)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKRKIMFDQTLLEQC-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.08
Rot. Bonds8

About N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113368805) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113368805
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC NameN-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(CNC(=O)CNCC(F)(F)F)OC
InChIInChI=1S/C9H17F3N2O3/c1-16-5-7(17-2)3-14-8(15)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKRKIMFDQTLLEQC-UHFFFAOYSA-N
XLogP-0.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113368805) is N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is COCC(CNC(=O)CNCC(F)(F)F)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KRKIMFDQTLLEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-16-5-7(17-2)3-14-8(15)4-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 258.24 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113368805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).