N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3NO2 — CID 90554678

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-2-4-15-5-3-8/h8H,2-6H2,1H3
InChIKeyBRPORTRUEWDJOM-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds2

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90554678) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90554678
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-2-4-15-5-3-8/h8H,2-6H2,1H3
InChIKeyBRPORTRUEWDJOM-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 90554678) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BRPORTRUEWDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(14)13(6-9(10,11)12)8-2-4-15-5-3-8/h8H,2-6H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90554678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).