2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C8H10F3NO2 — CID 169447373

IUPAC2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=C[C@@H](CO)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(14)12-6-2-1-5(3-6)4-13/h1-2,5-6,13H,3-4H2,(H,12,14)/t5-,6+/m1/s1
InChIKeyUGZMGYAPWYPVDD-RITPCOANSA-N
MW209.17 g/mol
LogP0.60
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 169447373) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID169447373
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESO=C(N[C@H]1C=C[C@@H](CO)C1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(14)12-6-2-1-5(3-6)4-13/h1-2,5-6,13H,3-4H2,(H,12,14)/t5-,6+/m1/s1
InChIKeyUGZMGYAPWYPVDD-RITPCOANSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 169447373) is 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is O=C(N[C@H]1C=C[C@@H](CO)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is UGZMGYAPWYPVDD-RITPCOANSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(14)12-6-2-1-5(3-6)4-13/h1-2,5-6,13H,3-4H2,(H,12,14)/t5-,6+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
2,2,2-trifluoro-N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 209.17 g/mol, XLogP of 0.60, 2 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-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 169447373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).