(2,2-difluoro-1,3-benzodioxol-4-yl)methanol

C8H6F2O3 — CID 11074155

IUPAC(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
SMILESOCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2
InChIKeyVHULACBMFYTQMM-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.50
Rot. Bonds1

About (2,2-difluoro-1,3-benzodioxol-4-yl)methanol

(2,2-difluoro-1,3-benzodioxol-4-yl)methanol (PubChem CID 11074155) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is (2,2-difluoro-1,3-benzodioxol-4-yl)methanol.

Molecular Properties

Compound Name(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
PubChem CID11074155
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
SMILESOCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2
InChIKeyVHULACBMFYTQMM-UHFFFAOYSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-difluoro-1,3-benzodioxol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)methanol?
The IUPAC name of (2,2-difluoro-1,3-benzodioxol-4-yl)methanol (CID 11074155) is (2,2-difluoro-1,3-benzodioxol-4-yl)methanol.
What is the SMILES notation for (2,2-difluoro-1,3-benzodioxol-4-yl)methanol?
The canonical SMILES for (2,2-difluoro-1,3-benzodioxol-4-yl)methanol is OCc1cccc2c1OC(F)(F)O2.
What is the InChIKey of (2,2-difluoro-1,3-benzodioxol-4-yl)methanol?
The InChIKey is VHULACBMFYTQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2.
What are the key properties of (2,2-difluoro-1,3-benzodioxol-4-yl)methanol?
(2,2-difluoro-1,3-benzodioxol-4-yl)methanol has a molecular weight of 188.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1,3-benzodioxol-4-yl)methanol is sourced from PubChem (CID 11074155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).