2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane

C9H15F3O2 — CID 58961464

IUPAC2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C9H15F3O2/c1-6(2)7(3,4)14-8(5,13-6)9(10,11)12/h1-5H3
InChIKeyHKHGOZYUQARWHS-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.87
Rot. Bonds

About 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane

2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 58961464) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID58961464
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C9H15F3O2/c1-6(2)7(3,4)14-8(5,13-6)9(10,11)12/h1-5H3
InChIKeyHKHGOZYUQARWHS-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane (CID 58961464) is 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane is CC1(C)OC(C)(C(F)(F)F)OC1(C)C.
What is the InChIKey of 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is HKHGOZYUQARWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-6(2)7(3,4)14-8(5,13-6)9(10,11)12/h1-5H3.
What are the key properties of 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane?
2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 212.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 58961464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).