2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane

C12H18F2O2 — CID 70948958

IUPAC2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(=C(F)F)CC2)OC1
InChIInChI=1S/C12H18F2O2/c1-8-6-15-12(16-7-8)10-4-2-9(3-5-10)11(13)14/h8,10,12H,2-7H2,1H3
InChIKeyBGBHRISJDSCGKZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.34
Rot. Bonds1

About 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane

2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane (PubChem CID 70948958) has the molecular formula C12H18F2O2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane
PubChem CID70948958
Molecular FormulaC12H18F2O2
Molecular Weight232.27 g/mol
Exact Mass232.13
IUPAC Name2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(=C(F)F)CC2)OC1
InChIInChI=1S/C12H18F2O2/c1-8-6-15-12(16-7-8)10-4-2-9(3-5-10)11(13)14/h8,10,12H,2-7H2,1H3
InChIKeyBGBHRISJDSCGKZ-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane (CID 70948958) is 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane is CC1COC(C2CCC(=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane?
The InChIKey is BGBHRISJDSCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O2/c1-8-6-15-12(16-7-8)10-4-2-9(3-5-10)11(13)14/h8,10,12H,2-7H2,1H3.
What are the key properties of 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane?
2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane has a molecular weight of 232.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylidene)cyclohexyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 70948958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).