2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide

C10H14F3NO2 — CID 123997637

IUPAC2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide
SMILESO=C(NC1CCC=CC(O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-7-3-1-2-4-8(15)6-5-7/h2,4,7-8,15H,1,3,5-6H2,(H,14,16)
InChIKeyGQGKLOPDJSHBLY-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.52
Rot. Bonds1

About 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide

2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide (PubChem CID 123997637) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide
PubChem CID123997637
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide
SMILESO=C(NC1CCC=CC(O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-7-3-1-2-4-8(15)6-5-7/h2,4,7-8,15H,1,3,5-6H2,(H,14,16)
InChIKeyGQGKLOPDJSHBLY-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.52
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-(6-hydroxycyclooct-4-en-1-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide (CID 123997637) is 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide is O=C(NC1CCC=CC(O)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide?
The InChIKey is GQGKLOPDJSHBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-7-3-1-2-4-8(15)6-5-7/h2,4,7-8,15H,1,3,5-6H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide?
2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide has a molecular weight of 237.22 g/mol, XLogP of 1.52, 1 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-(6-hydroxycyclooct-4-en-1-yl)acetamide is sourced from PubChem (CID 123997637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).