2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide

C7H10F3NO — CID 125476431

IUPAC2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
SMILESC/C=C/[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3-5H,1-2H3,(H,11,12)/b4-3+/t5-/m0/s1
InChIKeyJSTRGHYUIGNDSS-BHYDHMSTSA-N
MW181.16 g/mol
LogP1.63
Rot. Bonds2

About 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide

2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide (PubChem CID 125476431) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
PubChem CID125476431
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
SMILESC/C=C/[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3-5H,1-2H3,(H,11,12)/b4-3+/t5-/m0/s1
InChIKeyJSTRGHYUIGNDSS-BHYDHMSTSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide
CID 23657256
2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545
N-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 101004551
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
N-[(E,2R)-1-cyanopent-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 125476744
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 130971950
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide (CID 125476431) is 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide is C/C=C/[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide?
The InChIKey is JSTRGHYUIGNDSS-BHYDHMSTSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-5(2)11-6(12)7(8,9)10/h3-5H,1-2H3,(H,11,12)/b4-3+/t5-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide?
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide has a molecular weight of 181.16 g/mol, XLogP of 1.63, 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-[(E,2S)-pent-3-en-2-yl]acetamide is sourced from PubChem (CID 125476431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).