2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide

C11H17F2NO — CID 123628681

IUPAC2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCCCC=CC1(F)F
InChIInChI=1S/C11H17F2NO/c1-14-10(15)8-9-6-4-2-3-5-7-11(9,12)13/h5,7,9H,2-4,6,8H2,1H3,(H,14,15)
InChIKeyVIXQQAOWERGUCO-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds2

About 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide

2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide (PubChem CID 123628681) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide
PubChem CID123628681
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CCCCC=CC1(F)F
InChIInChI=1S/C11H17F2NO/c1-14-10(15)8-9-6-4-2-3-5-7-11(9,12)13/h5,7,9H,2-4,6,8H2,1H3,(H,14,15)
InChIKeyVIXQQAOWERGUCO-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.50
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-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442
(1S,2R,3R,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980056
(1S,2S,3S,4R)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134980057
3-(1,1-difluoroprop-2-enyl)-N-methyloctanamide
CID 123521031
(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
CID 134194605
(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
CID 134194747
2-fluoro-2-methyl-N-(2-methylpropyl)non-8-enamide
CID 146578016
4,4-difluoro-N-methyl-1-prop-2-enylcyclohexane-1-carboxamide
CID 155274374
2-[(3Z)-2-ethyl-2-fluorocyclooct-3-en-1-yl]-N-[2-(methylamino)ethyl]acetamide
CID 156282321
2-[(3Z)-2,2-difluorocyclooct-3-en-1-yl]-N-[2-(methylamino)ethyl]acetamide
CID 156282477
N-(2-aminoethyl)-2-[(3Z)-2,2-difluorocyclooct-3-en-1-yl]acetamide
CID 168141259
ethyl-N-hexylole amide
CID 129726491

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide?
The IUPAC name of 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide (CID 123628681) is 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide is CNC(=O)CC1CCCCC=CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide?
The InChIKey is VIXQQAOWERGUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-14-10(15)8-9-6-4-2-3-5-7-11(9,12)13/h5,7,9H,2-4,6,8H2,1H3,(H,14,15).
What are the key properties of 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide?
2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide has a molecular weight of 217.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide is sourced from PubChem (CID 123628681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).