2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide

C13H20F3NO2 — CID 163817239

IUPAC2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide
SMILESCC1=CCCCCCC1OCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-10-6-4-2-3-5-7-11(10)19-9-8-17-12(18)13(14,15)16/h6,11H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyNSJWFJMWGCVDOU-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.96
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide (PubChem CID 163817239) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide
PubChem CID163817239
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide
SMILESCC1=CCCCCCC1OCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H20F3NO2/c1-10-6-4-2-3-5-7-11(10)19-9-8-17-12(18)13(14,15)16/h6,11H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyNSJWFJMWGCVDOU-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide (CID 163817239) is 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide is CC1=CCCCCCC1OCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide?
The InChIKey is NSJWFJMWGCVDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-10-6-4-2-3-5-7-11(10)19-9-8-17-12(18)13(14,15)16/h6,11H,2-5,7-9H2,1H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylcyclooct-2-en-1-yl)oxyethyl]acetamide is sourced from PubChem (CID 163817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).