N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide

C10H14F3NO — CID 138976346

IUPACN-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H]1CC/C=C\CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,14,15)/b2-1-/t8-/m0/s1
InChIKeyHTXMBNSNZKGDEH-JQSQLHRZSA-N
MW221.22 g/mol
LogP2.55
Rot. Bonds1

About N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide

N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide (PubChem CID 138976346) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
PubChem CID138976346
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@H]1CC/C=C\CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,14,15)/b2-1-/t8-/m0/s1
InChIKeyHTXMBNSNZKGDEH-JQSQLHRZSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.55
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-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide (CID 138976346) is N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide is O=C(N[C@H]1CC/C=C\CCC1)C(F)(F)F.
What is the InChIKey of N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HTXMBNSNZKGDEH-JQSQLHRZSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-8-6-4-2-1-3-5-7-8/h1-2,8H,3-7H2,(H,14,15)/b2-1-/t8-/m0/s1.
What are the key properties of N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide?
N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide has a molecular weight of 221.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 138976346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).