2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide

C16H24FNO2 — CID 143299298

IUPAC2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide
SMILESC=CCCCCCNC(=O)COCC1=CCC(F)C=C1
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-18-16(19)13-20-12-14-7-9-15(17)10-8-14/h2,7-9,15H,1,3-6,10-13H2,(H,18,19)
InChIKeyBJHUYNVTABQHME-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.09
Rot. Bonds10

About 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide

2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide (PubChem CID 143299298) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide.

Molecular Properties

Compound Name2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide
PubChem CID143299298
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide
SMILESC=CCCCCCNC(=O)COCC1=CCC(F)C=C1
InChIInChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-18-16(19)13-20-12-14-7-9-15(17)10-8-14/h2,7-9,15H,1,3-6,10-13H2,(H,18,19)
InChIKeyBJHUYNVTABQHME-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.09
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-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide?
The IUPAC name of 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide (CID 143299298) is 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide.
What is the SMILES notation for 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide?
The canonical SMILES for 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide is C=CCCCCCNC(=O)COCC1=CCC(F)C=C1.
What is the InChIKey of 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide?
The InChIKey is BJHUYNVTABQHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-3-4-5-6-11-18-16(19)13-20-12-14-7-9-15(17)10-8-14/h2,7-9,15H,1,3-6,10-13H2,(H,18,19).
What are the key properties of 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide?
2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide has a molecular weight of 281.37 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide is sourced from PubChem (CID 143299298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).