4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol

C8H13F3O3 — CID 58463133

IUPAC4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol
SMILESCC1(C)OC(O)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C8H13F3O3/c1-5(2)6(3,4)14-8(12,13-5)7(9,10)11/h12H,1-4H3
InChIKeyGDEJGRCBVXZCEA-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.80
Rot. Bonds

About 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol

4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol (PubChem CID 58463133) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol
PubChem CID58463133
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol
SMILESCC1(C)OC(O)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C8H13F3O3/c1-5(2)6(3,4)14-8(12,13-5)7(9,10)11/h12H,1-4H3
InChIKeyGDEJGRCBVXZCEA-UHFFFAOYSA-N
XLogP1.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol?
The IUPAC name of 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol (CID 58463133) is 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol is CC1(C)OC(O)(C(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol?
The InChIKey is GDEJGRCBVXZCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O3/c1-5(2)6(3,4)14-8(12,13-5)7(9,10)11/h12H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol?
4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol has a molecular weight of 214.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(trifluoromethyl)-1,3-dioxolan-2-ol is sourced from PubChem (CID 58463133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).