2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide

C8H12F3NO — CID 169193411

IUPAC2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C1(C)CC1
InChIInChI=1S/C8H12F3NO/c1-5(7(2)3-4-7)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyLBIYFCWMXFXZND-YFKPBYRVSA-N
MW195.18 g/mol
LogP1.85
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide

2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide (PubChem CID 169193411) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide
PubChem CID169193411
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C1(C)CC1
InChIInChI=1S/C8H12F3NO/c1-5(7(2)3-4-7)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyLBIYFCWMXFXZND-YFKPBYRVSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide 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 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide (CID 169193411) is 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide is C[C@H](NC(=O)C(F)(F)F)C1(C)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide?
The InChIKey is LBIYFCWMXFXZND-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(7(2)3-4-7)12-6(13)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)/t5-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide?
2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide has a molecular weight of 195.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]acetamide is sourced from PubChem (CID 169193411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).