2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O3 — CID 62014772

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(3-7(15)5-17-2)4-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16)
InChIKeySZDADYOGAAHCGV-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.40
Rot. Bonds7

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62014772) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62014772
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(3-7(15)5-17-2)4-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16)
InChIKeySZDADYOGAAHCGV-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62014772) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is COCC(O)CN(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SZDADYOGAAHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-14(3-7(15)5-17-2)4-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 258.24 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62014772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).