[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

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

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

Launch Full Analysis

Related Compounds

2-[1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117491421
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-iodoethanone
CID 88899532
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopentan-1-amine
CID 117354591
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CID 59188176
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
7-[1-(hydroxymethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 116995109
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 69117095
2,2-difluoro-1,3-benzodioxol-5-ol
CID 67356342
2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 158133647
3-(2,2-difluoro-1,3-benzodioxol-5-yl)azetidin-3-amine;hydrochloride
CID 166607927

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).