N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide

C7H8F3NO — CID 14688653

IUPACN-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1C=CCC1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6(12)11-5-3-1-2-4-5/h1,3,5H,2,4H2,(H,11,12)/t5-/m1/s1
InChIKeyYBLARTYDUQXAPP-RXMQYKEDSA-N
MW179.14 g/mol
LogP1.38
Rot. Bonds1

About N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide

N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide (PubChem CID 14688653) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide
PubChem CID14688653
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC NameN-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1C=CCC1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6(12)11-5-3-1-2-4-5/h1,3,5H,2,4H2,(H,11,12)/t5-/m1/s1
InChIKeyYBLARTYDUQXAPP-RXMQYKEDSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide (CID 14688653) is N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide is O=C(N[C@@H]1C=CCC1)C(F)(F)F.
What is the InChIKey of N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide?
The InChIKey is YBLARTYDUQXAPP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)6(12)11-5-3-1-2-4-5/h1,3,5H,2,4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide?
N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide has a molecular weight of 179.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclopent-2-en-1-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14688653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).