4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane

C15H28F2O2 — CID 121285344

IUPAC4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)CC
InChIInChI=1S/C15H28F2O2/c1-9-11(3,4)14(16)15(17,12(5,6)10-2)19-13(7,8)18-14/h9-10H2,1-8H3
InChIKeyNQFKWYNEGFPQBQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.97
Rot. Bonds4

About 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane

4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 121285344) has the molecular formula C15H28F2O2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane
PubChem CID121285344
Molecular FormulaC15H28F2O2
Molecular Weight278.38 g/mol
Exact Mass278.21
IUPAC Name4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)CC
InChIInChI=1S/C15H28F2O2/c1-9-11(3,4)14(16)15(17,12(5,6)10-2)19-13(7,8)18-14/h9-10H2,1-8H3
InChIKeyNQFKWYNEGFPQBQ-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane (CID 121285344) is 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane is CCC(C)(C)C1(F)OC(C)(C)OC1(F)C(C)(C)CC.
What is the InChIKey of 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is NQFKWYNEGFPQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O2/c1-9-11(3,4)14(16)15(17,12(5,6)10-2)19-13(7,8)18-14/h9-10H2,1-8H3.
What are the key properties of 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane?
4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 278.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,2-dimethyl-4,5-bis(2-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 121285344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).