2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane

C7H5F7O2 — CID 129105546

IUPAC2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC1(C(F)(F)F)COC(=C(F)F)OC1(F)F
InChIInChI=1S/C7H5F7O2/c1-5(6(10,11)12)2-15-4(3(8)9)16-7(5,13)14/h2H2,1H3
InChIKeyMIEGISLNMOJKJZ-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.26
Rot. Bonds

About 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane

2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane (PubChem CID 129105546) has the molecular formula C7H5F7O2 and a molecular weight of 254.10 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane
PubChem CID129105546
Molecular FormulaC7H5F7O2
Molecular Weight254.10 g/mol
Exact Mass254.02
IUPAC Name2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane
SMILESCC1(C(F)(F)F)COC(=C(F)F)OC1(F)F
InChIInChI=1S/C7H5F7O2/c1-5(6(10,11)12)2-15-4(3(8)9)16-7(5,13)14/h2H2,1H3
InChIKeyMIEGISLNMOJKJZ-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane?
The IUPAC name of 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane (CID 129105546) is 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane.
What is the SMILES notation for 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane?
The canonical SMILES for 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane is CC1(C(F)(F)F)COC(=C(F)F)OC1(F)F.
What is the InChIKey of 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane?
The InChIKey is MIEGISLNMOJKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O2/c1-5(6(10,11)12)2-15-4(3(8)9)16-7(5,13)14/h2H2,1H3.
What are the key properties of 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane?
2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane has a molecular weight of 254.10 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane is sourced from PubChem (CID 129105546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).