3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol

C11H13FO3 — CID 117302752

IUPAC3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESOCCCc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C11H13FO3/c12-9-6-8(2-1-3-13)7-10-11(9)15-5-4-14-10/h6-7,13H,1-5H2
InChIKeyCJDINYLFWVRIDP-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.52
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (PubChem CID 117302752) 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-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
PubChem CID117302752
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESOCCCc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C11H13FO3/c12-9-6-8(2-1-3-13)7-10-11(9)15-5-4-14-10/h6-7,13H,1-5H2
InChIKeyCJDINYLFWVRIDP-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-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-ol
CID 117325304
3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117470159
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
3-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117470162
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
CID 142473011
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986
O-[(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117303633

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (CID 117302752) is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is OCCCc1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The InChIKey is CJDINYLFWVRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-9-6-8(2-1-3-13)7-10-11(9)15-5-4-14-10/h6-7,13H,1-5H2.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-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-7-yl)propan-1-ol is sourced from PubChem (CID 117302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).