[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol

C11H10F2O3 — CID 116989014

IUPAC[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
SMILESOCC1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C11H10F2O3/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5,14H,3-4,6H2
InChIKeyWREVPPBRTKGHMC-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.03
Rot. Bonds2

About [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol

[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol (PubChem CID 116989014) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
PubChem CID116989014
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol
SMILESOCC1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C11H10F2O3/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5,14H,3-4,6H2
InChIKeyWREVPPBRTKGHMC-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol?
The IUPAC name of [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol (CID 116989014) is [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol is OCC1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol?
The InChIKey is WREVPPBRTKGHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5,14H,3-4,6H2.
What are the key properties of [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol?
[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol has a molecular weight of 228.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]methanol is sourced from PubChem (CID 116989014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).