2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane

C10H18F2O2 — CID 71039348

IUPAC2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
SMILESCCC(F)(F)C1(C(C)(C)C)OCCO1
InChIInChI=1S/C10H18F2O2/c1-5-9(11,12)10(8(2,3)4)13-6-7-14-10/h5-7H2,1-4H3
InChIKeyOVYZRJIRHOVIRU-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.82
Rot. Bonds2

About 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane

2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane (PubChem CID 71039348) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
PubChem CID71039348
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
SMILESCCC(F)(F)C1(C(C)(C)C)OCCO1
InChIInChI=1S/C10H18F2O2/c1-5-9(11,12)10(8(2,3)4)13-6-7-14-10/h5-7H2,1-4H3
InChIKeyOVYZRJIRHOVIRU-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane (CID 71039348) is 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane is CCC(F)(F)C1(C(C)(C)C)OCCO1.
What is the InChIKey of 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane?
The InChIKey is OVYZRJIRHOVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-5-9(11,12)10(8(2,3)4)13-6-7-14-10/h5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane?
2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane has a molecular weight of 208.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 71039348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).