5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine

C9H9FO3 — CID 174359912

IUPAC5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine
SMILESCOC1COc2c(F)cccc2O1
InChIInChI=1S/C9H9FO3/c1-11-8-5-12-9-6(10)3-2-4-7(9)13-8/h2-4,8H,5H2,1H3
InChIKeyLDVNIWWSNRZQFA-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.57
Rot. Bonds1

About 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine

5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine (PubChem CID 174359912) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine
PubChem CID174359912
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine
SMILESCOC1COc2c(F)cccc2O1
InChIInChI=1S/C9H9FO3/c1-11-8-5-12-9-6(10)3-2-4-7(9)13-8/h2-4,8H,5H2,1H3
InChIKeyLDVNIWWSNRZQFA-UHFFFAOYSA-N
XLogP1.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 70302520
(2R)-2-methoxy-5-nitro-2,3-dihydro-1,4-benzodioxine
CID 174356582
(3R)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58765412
(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane
CID 162071384
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
2-bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 167513731
5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
CID 10219795
(3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole;dihydrochloride
CID 155712838
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
bis((3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole);hydrate;dihydrochloride
CID 23724909
4-bromo-5-fluoro-2-methoxy-2,3-dihydro-1-benzofuran
CID 121412474
1-(7-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906490

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine (CID 174359912) is 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine is COC1COc2c(F)cccc2O1.
What is the InChIKey of 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine?
The InChIKey is LDVNIWWSNRZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-11-8-5-12-9-6(10)3-2-4-7(9)13-8/h2-4,8H,5H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine?
5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine has a molecular weight of 184.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 174359912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).