5-(difluoromethoxymethyl)-1,3-benzodioxole

C9H8F2O3 — CID 162716617

IUPAC5-(difluoromethoxymethyl)-1,3-benzodioxole
SMILESFC(F)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H8F2O3/c10-9(11)12-4-6-1-2-7-8(3-6)14-5-13-7/h1-3,9H,4-5H2
InChIKeyGJPXIVRTAZRWPN-UHFFFAOYSA-N
MW202.16 g/mol
LogP2.15
Rot. Bonds3

About 5-(difluoromethoxymethyl)-1,3-benzodioxole

5-(difluoromethoxymethyl)-1,3-benzodioxole (PubChem CID 162716617) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-1,3-benzodioxole
PubChem CID162716617
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name5-(difluoromethoxymethyl)-1,3-benzodioxole
SMILESFC(F)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H8F2O3/c10-9(11)12-4-6-1-2-7-8(3-6)14-5-13-7/h1-3,9H,4-5H2
InChIKeyGJPXIVRTAZRWPN-UHFFFAOYSA-N
XLogP2.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
2-(1,3-benzodioxol-5-ylmethoxy)-N-methylbutan-1-amine
CID 55077500
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
CID 62445715
4-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 62445906
1,3-benzodioxol-5-ylmethyl cyanate
CID 71424402
2-(1,3-benzodioxol-5-ylmethoxy)pentanoic acid
CID 83038249
4-(1,3-benzodioxol-5-ylmethoxy)-N-methylpentan-1-amine
CID 62445731
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
1,3-benzodioxol-5-ylmethyl(trifluoro)boranuide
CID 138967378
5-(6-propan-2-yloxyhexoxymethyl)-1,3-benzodioxole
CID 163959918
N-[2-(1,3-benzodioxol-5-ylmethoxy)butyl]cyclopropanamine
CID 55077501

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)-1,3-benzodioxole?
The IUPAC name of 5-(difluoromethoxymethyl)-1,3-benzodioxole (CID 162716617) is 5-(difluoromethoxymethyl)-1,3-benzodioxole.
What is the SMILES notation for 5-(difluoromethoxymethyl)-1,3-benzodioxole?
The canonical SMILES for 5-(difluoromethoxymethyl)-1,3-benzodioxole is FC(F)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(difluoromethoxymethyl)-1,3-benzodioxole?
The InChIKey is GJPXIVRTAZRWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-9(11)12-4-6-1-2-7-8(3-6)14-5-13-7/h1-3,9H,4-5H2.
What are the key properties of 5-(difluoromethoxymethyl)-1,3-benzodioxole?
5-(difluoromethoxymethyl)-1,3-benzodioxole has a molecular weight of 202.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-1,3-benzodioxole is sourced from PubChem (CID 162716617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).