N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C8H14F3NO3 — CID 103846923

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CO)N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(3-13)12(2)7(14)4-15-5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyQTNLRUFOHBVXNK-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.40
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103846923) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103846923
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CO)N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-6(3-13)12(2)7(14)4-15-5-8(9,10)11/h6,13H,3-5H2,1-2H3
InChIKeyQTNLRUFOHBVXNK-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103846923) is N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CC(CO)N(C)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QTNLRUFOHBVXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-6(3-13)12(2)7(14)4-15-5-8(9,10)11/h6,13H,3-5H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 229.20 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103846923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).