(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine

C8H12F2O2 — CID 18335871

IUPAC(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
SMILESCC1(F)OC/C=C\COC1(C)F
InChIInChI=1S/C8H12F2O2/c1-7(9)8(2,10)12-6-4-3-5-11-7/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyAGCGRFVKOKFTLK-ARJAWSKDSA-N
MW178.18 g/mol
LogP1.96
Rot. Bonds

About (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine

(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine (PubChem CID 18335871) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine.

Molecular Properties

Compound Name(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
PubChem CID18335871
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
SMILESCC1(F)OC/C=C\COC1(C)F
InChIInChI=1S/C8H12F2O2/c1-7(9)8(2,10)12-6-4-3-5-11-7/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyAGCGRFVKOKFTLK-ARJAWSKDSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine?
The IUPAC name of (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine (CID 18335871) is (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine.
What is the SMILES notation for (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine?
The canonical SMILES for (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine is CC1(F)OC/C=C\COC1(C)F.
What is the InChIKey of (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine?
The InChIKey is AGCGRFVKOKFTLK-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-7(9)8(2,10)12-6-4-3-5-11-7/h3-4H,5-6H2,1-2H3/b4-3-.
What are the key properties of (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine?
(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine has a molecular weight of 178.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine is sourced from PubChem (CID 18335871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).