2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

C11H13FO3 — CID 84678952

IUPAC2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C11H13FO3/c1-11(2,13)7-5-9-10(6-8(7)12)15-4-3-14-9/h5-6,13H,3-4H2,1-2H3
InChIKeyAWKLVCAXLRXGAC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.82
Rot. Bonds1

About 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 84678952) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID84678952
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCC(C)(O)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C11H13FO3/c1-11(2,13)7-5-9-10(6-8(7)12)15-4-3-14-9/h5-6,13H,3-4H2,1-2H3
InChIKeyAWKLVCAXLRXGAC-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-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
CID 84709686
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84715487
[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 84693364
2-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-2-methylpropan-1-ol
CID 117461744
2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanamine
CID 84703800
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-ol
CID 117325345
6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 84691739
1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 82476704
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 117398737

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (CID 84678952) is 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is CC(C)(O)c1cc2c(cc1F)OCCO2.
What is the InChIKey of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is AWKLVCAXLRXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(2,13)7-5-9-10(6-8(7)12)15-4-3-14-9/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-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-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 84678952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).