2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

C11H13FO3 — CID 117302822

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H13FO3/c1-11(2,13)7-3-4-8-10(9(7)12)15-6-5-14-8/h3-4,13H,5-6H2,1-2H3
InChIKeyRORTUYLWCOFKKJ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.82
Rot. Bonds1

About 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (PubChem CID 117302822) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
PubChem CID117302822
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H13FO3/c1-11(2,13)7-3-4-8-10(9(7)12)15-6-5-14-8/h3-4,13H,5-6H2,1-2H3
InChIKeyRORTUYLWCOFKKJ-UHFFFAOYSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-ol
CID 117325345
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84678952
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
CID 117286045
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
3-(4-fluoro-1,3-benzodioxol-5-yl)-3-methylbutanoic acid
CID 117352764
2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84715487
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2-dimethylpropanoic acid
CID 117424167
5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298719
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
CID 117322855

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (CID 117302822) is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is CC(C)(O)c1ccc2c(c1F)OCCO2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The InChIKey is RORTUYLWCOFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(2,13)7-3-4-8-10(9(7)12)15-6-5-14-8/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol has a molecular weight of 212.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is sourced from PubChem (CID 117302822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).