2-fluoro-2-methyl-1,3-benzodioxol-5-ol

C8H7FO3 — CID 122451471

IUPAC2-fluoro-2-methyl-1,3-benzodioxol-5-ol
SMILESCC1(F)Oc2ccc(O)cc2O1
InChIInChI=1S/C8H7FO3/c1-8(9)11-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3
InChIKeyQFCVRLFLBITTNP-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.81
Rot. Bonds

About 2-fluoro-2-methyl-1,3-benzodioxol-5-ol

2-fluoro-2-methyl-1,3-benzodioxol-5-ol (PubChem CID 122451471) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name2-fluoro-2-methyl-1,3-benzodioxol-5-ol
PubChem CID122451471
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name2-fluoro-2-methyl-1,3-benzodioxol-5-ol
SMILESCC1(F)Oc2ccc(O)cc2O1
InChIInChI=1S/C8H7FO3/c1-8(9)11-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3
InChIKeyQFCVRLFLBITTNP-UHFFFAOYSA-N
XLogP1.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1,3-benzodioxol-5-ol?
The IUPAC name of 2-fluoro-2-methyl-1,3-benzodioxol-5-ol (CID 122451471) is 2-fluoro-2-methyl-1,3-benzodioxol-5-ol.
What is the SMILES notation for 2-fluoro-2-methyl-1,3-benzodioxol-5-ol?
The canonical SMILES for 2-fluoro-2-methyl-1,3-benzodioxol-5-ol is CC1(F)Oc2ccc(O)cc2O1.
What is the InChIKey of 2-fluoro-2-methyl-1,3-benzodioxol-5-ol?
The InChIKey is QFCVRLFLBITTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c1-8(9)11-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3.
What are the key properties of 2-fluoro-2-methyl-1,3-benzodioxol-5-ol?
2-fluoro-2-methyl-1,3-benzodioxol-5-ol has a molecular weight of 170.14 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1,3-benzodioxol-5-ol is sourced from PubChem (CID 122451471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).