2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol

C9H9FO3 — CID 117279735

IUPAC2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol
SMILESOCCc1cc2c(cc1F)OCO2
InChIInChI=1S/C9H9FO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-11/h3-4,11H,1-2,5H2
InChIKeyFEYFQGOUEFIWEP-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.09
Rot. Bonds2

About 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol

2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117279735) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol
PubChem CID117279735
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol
SMILESOCCc1cc2c(cc1F)OCO2
InChIInChI=1S/C9H9FO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-11/h3-4,11H,1-2,5H2
InChIKeyFEYFQGOUEFIWEP-UHFFFAOYSA-N
XLogP1.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]propan-1-ol
CID 91665287
(3S,5R)-1-[2-(6-fluoro-1,3-benzodioxol-5-yl)ethyl]piperidine-3,4,5-triol
CID 166834317
(2R,3R,4R,5S)-1-[2-(6-fluoro-1,3-benzodioxol-5-yl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286572
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid
CID 117388535
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117434918
2-[2-bromo-5-(bromomethyl)-4-fluorophenyl]ethanol
CID 178075985
2-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanol
CID 117398994
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
6-(2-aminoethyl)-4-fluoro-1,3-benzodioxol-5-ol
CID 117288236

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol (CID 117279735) is 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol is OCCc1cc2c(cc1F)OCO2.
What is the InChIKey of 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is FEYFQGOUEFIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-11/h3-4,11H,1-2,5H2.
What are the key properties of 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol?
2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 184.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117279735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).