4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H12F6O2 — CID 59310268

IUPAC4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C9H12F6O2/c1-5(2)6(3,4)17-7(16-5,8(10,11)12)9(13,14)15/h1-4H3
InChIKeyUDEVYBNRKFHYCW-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.41
Rot. Bonds

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

4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 59310268) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID59310268
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1(C)C
InChIInChI=1S/C9H12F6O2/c1-5(2)6(3,4)17-7(16-5,8(10,11)12)9(13,14)15/h1-4H3
InChIKeyUDEVYBNRKFHYCW-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 59310268) is 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC1(C)OC(C(F)(F)F)(C(F)(F)F)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is UDEVYBNRKFHYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-5(2)6(3,4)17-7(16-5,8(10,11)12)9(13,14)15/h1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 266.18 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 59310268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).