2,2-difluoro-1,3-benzodioxol-5-ol

C7H4F2O3 — CID 67356342

IUPAC2,2-difluoro-1,3-benzodioxol-5-ol
SMILESOc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C7H4F2O3/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3,10H
InChIKeyGEHVTOIGEVNIEQ-UHFFFAOYSA-N
MW174.10 g/mol
LogP1.71
Rot. Bonds

About 2,2-difluoro-1,3-benzodioxol-5-ol

2,2-difluoro-1,3-benzodioxol-5-ol (PubChem CID 67356342) has the molecular formula C7H4F2O3 and a molecular weight of 174.10 g/mol. Its IUPAC name is 2,2-difluoro-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name2,2-difluoro-1,3-benzodioxol-5-ol
PubChem CID67356342
Molecular FormulaC7H4F2O3
Molecular Weight174.10 g/mol
Exact Mass174.01
IUPAC Name2,2-difluoro-1,3-benzodioxol-5-ol
SMILESOc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C7H4F2O3/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3,10H
InChIKeyGEHVTOIGEVNIEQ-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-1,3-benzodioxol-5-ol
CID 122451471
(NE)-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
CID 23396337
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-oxoacetic acid
CID 117331845
5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole
CID 15767253
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 116998331
N'-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanimidamide
CID 63173293
5-(2-bromoethyl)-2,2-difluoro-1,3-benzodioxole
CID 131002530
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
CID 134452715
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylphenol
CID 137403184
[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
CID 116989014
2-amino-2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanol
CID 77129930
2-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]-4-fluorophenol
CID 103948200

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-benzodioxol-5-ol?
The IUPAC name of 2,2-difluoro-1,3-benzodioxol-5-ol (CID 67356342) is 2,2-difluoro-1,3-benzodioxol-5-ol.
What is the SMILES notation for 2,2-difluoro-1,3-benzodioxol-5-ol?
The canonical SMILES for 2,2-difluoro-1,3-benzodioxol-5-ol is Oc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-1,3-benzodioxol-5-ol?
The InChIKey is GEHVTOIGEVNIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O3/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3,10H.
What are the key properties of 2,2-difluoro-1,3-benzodioxol-5-ol?
2,2-difluoro-1,3-benzodioxol-5-ol has a molecular weight of 174.10 g/mol, XLogP of 1.71, 0 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-5-ol is sourced from PubChem (CID 67356342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).