2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide

C11H16F3NO — CID 121370346

IUPAC2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
SMILESCC1CC/C=C\CCC1NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-8-6-4-2-3-5-7-9(8)15-10(16)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16)/b3-2-
InChIKeyWAIRGNDETAKBSD-IHWYPQMZSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds1

About 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide

2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide (PubChem CID 121370346) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
PubChem CID121370346
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
SMILESCC1CC/C=C\CCC1NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-8-6-4-2-3-5-7-9(8)15-10(16)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16)/b3-2-
InChIKeyWAIRGNDETAKBSD-IHWYPQMZSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 138976346
N-[(4Z)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 162404939
N-[(4E)-cyclooct-4-en-1-yl]-2,2,2-trifluoroacetamide
CID 162413325
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
CID 164642741
N-(3,7-dimethyloct-6-enyl)-2,2,2-trifluoroacetamide
CID 12523880
N-[3-(4,7-dihydro-1-indanyl)propyl]-2,2,2-trifluoroacetamide
CID 22758132
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
CID 118374455
N-[(2Z)-cyclooct-2-en-1-yl]-2,2,2-trifluoroacetamide
CID 121291226
N-[(2E)-cyclooct-2-en-1-yl]-2,2,2-trifluoroacetamide
CID 121291230
2,2,2-trifluoro-N-[5-[3-[[(Z)-tetradec-5-enyl]amino]propyl]-8-[(2,2,2-trifluoroacetyl)amino]octyl]acetamide
CID 139942202

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide (CID 121370346) is 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide is CC1CC/C=C\CCC1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide?
The InChIKey is WAIRGNDETAKBSD-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8-6-4-2-3-5-7-9(8)15-10(16)11(12,13)14/h2-3,8-9H,4-7H2,1H3,(H,15,16)/b3-2-.
What are the key properties of 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide?
2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide is sourced from PubChem (CID 121370346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).