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

C11H13FO3 — CID 117302751

IUPAC3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H13FO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2
InChIKeyUOWHLBPSOMCFPM-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.52
Rot. Bonds3

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

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (PubChem CID 117302751) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
PubChem CID117302751
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H13FO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2
InChIKeyUOWHLBPSOMCFPM-UHFFFAOYSA-N
XLogP1.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117434969
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-ol
CID 117297659
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-ol
CID 117325304
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117289542
5-chloro-7-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117363634
3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117318284
(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117303095

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol (CID 117302751) is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is OCCCc1ccc2c(c1F)OCCO2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
The InChIKey is UOWHLBPSOMCFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h3-4,13H,1-2,5-7H2.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol?
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol has a molecular weight of 212.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol is sourced from PubChem (CID 117302751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).