3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol

C10H10F2O3 — CID 10867678

IUPAC3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESOCCCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C10H10F2O3/c11-10(12)14-8-5-1-3-7(4-2-6-13)9(8)15-10/h1,3,5,13H,2,4,6H2
InChIKeyWJZMKLPTTMCBEU-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.93
Rot. Bonds3

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

3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 10867678) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID10867678
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol
SMILESOCCCc1cccc2c1OC(F)(F)O2
InChIInChI=1S/C10H10F2O3/c11-10(12)14-8-5-1-3-7(4-2-6-13)9(8)15-10/h1,3,5,13H,2,4,6H2
InChIKeyWJZMKLPTTMCBEU-UHFFFAOYSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol (CID 10867678) is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol is OCCCc1cccc2c1OC(F)(F)O2.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is WJZMKLPTTMCBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-10(12)14-8-5-1-3-7(4-2-6-13)9(8)15-10/h1,3,5,13H,2,4,6H2.
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol?
3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 216.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 10867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).