2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3NO2 — CID 58376243

IUPAC2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CC(C)OC(C)C1
InChIInChI=1S/C14H24F3NO2/c1-4-5-18(9-14(15,16)17)13(19)8-12-6-10(2)20-11(3)7-12/h10-12H,4-9H2,1-3H3
InChIKeyJLUDWGVUVCSEKD-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.38
Rot. Bonds5

About 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58376243) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58376243
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CC1CC(C)OC(C)C1
InChIInChI=1S/C14H24F3NO2/c1-4-5-18(9-14(15,16)17)13(19)8-12-6-10(2)20-11(3)7-12/h10-12H,4-9H2,1-3H3
InChIKeyJLUDWGVUVCSEKD-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 58376243) is 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)CC1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JLUDWGVUVCSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-4-5-18(9-14(15,16)17)13(19)8-12-6-10(2)20-11(3)7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58376243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).