5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole

C8H4Cl2F2O2 — CID 15767253

IUPAC5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(C(Cl)Cl)cc2O1
InChIInChI=1S/C8H4Cl2F2O2/c9-7(10)4-1-2-5-6(3-4)14-8(11,12)13-5/h1-3,7H
InChIKeyYXMCYFRIYWBSCT-UHFFFAOYSA-N
MW241.02 g/mol
LogP3.48
Rot. Bonds1

About 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole

5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole (PubChem CID 15767253) has the molecular formula C8H4Cl2F2O2 and a molecular weight of 241.02 g/mol. Its IUPAC name is 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole
PubChem CID15767253
Molecular FormulaC8H4Cl2F2O2
Molecular Weight241.02 g/mol
Exact Mass239.96
IUPAC Name5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole
SMILESFC1(F)Oc2ccc(C(Cl)Cl)cc2O1
InChIInChI=1S/C8H4Cl2F2O2/c9-7(10)4-1-2-5-6(3-4)14-8(11,12)13-5/h1-3,7H
InChIKeyYXMCYFRIYWBSCT-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.02
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Isosafrole
CID 637796
1,3-Benzodioxole, 5-methyl-
CID 81564
alpha-Isosafrole
CID 1549044
1,3-Benzodioxole, 5-(chloromethyl)-
CID 88713
Veratryl chloride
CID 81740
6-Chloropiperonyl chloride
CID 90113
1,3-Benzodioxole, 5-ethenyl-
CID 138986
5-Propenyl-benzo-1,3-dioxole
CID 8439
2,2-Difluoro-1,3-benzodioxole-5-acetonitrile
CID 20311384
2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile
CID 2736962
5-[1-(Trifluoromethyl)ethenyl]-1,3-benzodioxole
CID 12032060
5-[(E)-3,3,3-Trifluoro-1-propenyl]-1,3-benzodioxole
CID 72192477

Frequently Asked Questions

What is the IUPAC name of 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole (CID 15767253) is 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole is FC1(F)Oc2ccc(C(Cl)Cl)cc2O1.
What is the InChIKey of 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole?
The InChIKey is YXMCYFRIYWBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2O2/c9-7(10)4-1-2-5-6(3-4)14-8(11,12)13-5/h1-3,7H.
What are the key properties of 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole?
5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole has a molecular weight of 241.02 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 15767253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).