2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide

C8H12F3NO2 — CID 23657256

IUPAC2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide
SMILESC[C@@H](/C=C\CCO)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(4-2-3-5-13)12-7(14)8(9,10)11/h2,4,6,13H,3,5H2,1H3,(H,12,14)/b4-2-/t6-/m0/s1
InChIKeyVKLKDNZBYXYRLV-DNDNTSGYSA-N
MW211.18 g/mol
LogP0.99
Rot. Bonds4

About 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide

2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide (PubChem CID 23657256) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide
PubChem CID23657256
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide
SMILESC[C@@H](/C=C\CCO)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(4-2-3-5-13)12-7(14)8(9,10)11/h2,4,6,13H,3,5H2,1H3,(H,12,14)/b4-2-/t6-/m0/s1
InChIKeyVKLKDNZBYXYRLV-DNDNTSGYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
5-(methylamino)hex-3-en-1-ol
CID 173195791
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-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
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
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
CID 11564832

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide (CID 23657256) is 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide is C[C@@H](/C=C\CCO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide?
The InChIKey is VKLKDNZBYXYRLV-DNDNTSGYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(4-2-3-5-13)12-7(14)8(9,10)11/h2,4,6,13H,3,5H2,1H3,(H,12,14)/b4-2-/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide?
2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide is sourced from PubChem (CID 23657256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).