6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine

C17H23FO2 — CID 83922545

IUPAC6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CCC)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C17H23FO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyNEMMXLLUDHCTFW-WAYWQWQTSA-N
MW278.37 g/mol
LogP4.84
Rot. Bonds6

About 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine

6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 83922545) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
PubChem CID83922545
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CCC)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C17H23FO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyNEMMXLLUDHCTFW-WAYWQWQTSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
CID 83922559
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325368
3-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butanethioamide
CID 83922500
6-fluoro-7-[1-(3-methyloxiran-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922551
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butan-1-amine
CID 43152851
4-[(Z)-non-6-en-4-yl]aniline
CID 112718062
(E)-3-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-amine
CID 117371420

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine (CID 83922545) is 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine is CC/C=C\CC(CCC)c1cc2c(cc1F)OCCO2.
What is the InChIKey of 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is NEMMXLLUDHCTFW-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H23FO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-.
What are the key properties of 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 278.37 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 83922545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).