N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane

C11H22F3NO — CID 156643929

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC.CC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.2C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;2*1-2/h5-6H,2-3H2,1H3,(H,11,12);2*1-2H3
InChIKeyUPIKYRLBAXGGBO-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.52
Rot. Bonds2

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane

N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane (PubChem CID 156643929) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
PubChem CID156643929
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC.CC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.2C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;2*1-2/h5-6H,2-3H2,1H3,(H,11,12);2*1-2H3
InChIKeyUPIKYRLBAXGGBO-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane (CID 156643929) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane is CC.CC.CC(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The InChIKey is UPIKYRLBAXGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.2C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;2*1-2/h5-6H,2-3H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane has a molecular weight of 241.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane is sourced from PubChem (CID 156643929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).