2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide

C7H8Cl3NO2 — CID 101055879

IUPAC2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=C[C@@H](O)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H8Cl3NO2/c8-7(9,10)6(13)11-4-1-2-5(12)3-4/h1-2,4-5,12H,3H2,(H,11,13)/t4-,5+/m0/s1
InChIKeyCVRAKTDGPVZXDX-CRCLSJGQSA-N
MW244.51 g/mol
LogP1.16
Rot. Bonds1

About 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide

2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide (PubChem CID 101055879) has the molecular formula C7H8Cl3NO2 and a molecular weight of 244.51 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide
PubChem CID101055879
Molecular FormulaC7H8Cl3NO2
Molecular Weight244.51 g/mol
Exact Mass242.96
IUPAC Name2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=C[C@@H](O)C1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H8Cl3NO2/c8-7(9,10)6(13)11-4-1-2-5(12)3-4/h1-2,4-5,12H,3H2,(H,11,13)/t4-,5+/m0/s1
InChIKeyCVRAKTDGPVZXDX-CRCLSJGQSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.51
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide (CID 101055879) is 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide is O=C(N[C@H]1C=C[C@@H](O)C1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide?
The InChIKey is CVRAKTDGPVZXDX-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H8Cl3NO2/c8-7(9,10)6(13)11-4-1-2-5(12)3-4/h1-2,4-5,12H,3H2,(H,11,13)/t4-,5+/m0/s1.
What are the key properties of 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide?
2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide has a molecular weight of 244.51 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 101055879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).