2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol

C9H8F2O3 — CID 10679600

IUPAC2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
SMILESOCCc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O3/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5,12H,3-4H2
InChIKeyPOAQIUVPNLFVQX-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.54
Rot. Bonds2

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

2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol (PubChem CID 10679600) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
PubChem CID10679600
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
SMILESOCCc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O3/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5,12H,3-4H2
InChIKeyPOAQIUVPNLFVQX-UHFFFAOYSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safrole
CID 5144
Stiripentol
CID 5311454
Isosafrole
CID 637796
Myristicin
CID 4276
Piperonyl acetate
CID 9473
alpha-Ethenyl-1,3-benzodioxole-5-methanol
CID 21268
Piperonyl alcohol
CID 10322
Dihydrosafrole
CID 7197
Homovanillyl alcohol
CID 16928
Veratryl alcohol
CID 7118
5-(Diethoxymethyl)-1,3-benzodioxole
CID 95136
3-(3',4'-Dimethoxyphenyl)-1-propanol
CID 77528

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol (CID 10679600) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol is OCCc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is POAQIUVPNLFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5,12H,3-4H2.
What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol?
2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 202.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 10679600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).