2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol

C9H7F3O3 — CID 10680418

IUPAC2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol
SMILESOCCc1c(F)ccc2c1OC(F)(F)O2
InChIInChI=1S/C9H7F3O3/c10-6-1-2-7-8(5(6)3-4-13)15-9(11,12)14-7/h1-2,13H,3-4H2
InChIKeyDQXMHUUACWHKOM-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.68
Rot. Bonds2

About 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol

2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol (PubChem CID 10680418) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol
PubChem CID10680418
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol
SMILESOCCc1c(F)ccc2c1OC(F)(F)O2
InChIInChI=1S/C9H7F3O3/c10-6-1-2-7-8(5(6)3-4-13)15-9(11,12)14-7/h1-2,13H,3-4H2
InChIKeyDQXMHUUACWHKOM-UHFFFAOYSA-N
XLogP1.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol?
The IUPAC name of 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol (CID 10680418) is 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol.
What is the SMILES notation for 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol?
The canonical SMILES for 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol is OCCc1c(F)ccc2c1OC(F)(F)O2.
What is the InChIKey of 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol?
The InChIKey is DQXMHUUACWHKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-6-1-2-7-8(5(6)3-4-13)15-9(11,12)14-7/h1-2,13H,3-4H2.
What are the key properties of 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol?
2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol has a molecular weight of 220.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol is sourced from PubChem (CID 10680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).