N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3NO2 — CID 112605320

IUPACN-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)OCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3NO2/c1-10(2,3)17-6-9(16)15(8-4-5-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyCBUWMPYXJKQBMY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds4

About N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112605320) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112605320
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)OCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H18F3NO2/c1-10(2,3)17-6-9(16)15(8-4-5-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyCBUWMPYXJKQBMY-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 112605320) is N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)OCC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CBUWMPYXJKQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-10(2,3)17-6-9(16)15(8-4-5-8)7-11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112605320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).