2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane

C7H10F4O2 — CID 90981327

IUPAC2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C7H10F4O2/c1-4(2)6(9)5(3,8)12-7(10,11)13-6/h4H,1-3H3
InChIKeyOBLOUNHYWIKVKB-UHFFFAOYSA-N
MW202.15 g/mol
LogP2.59
Rot. Bonds1

About 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane

2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane (PubChem CID 90981327) has the molecular formula C7H10F4O2 and a molecular weight of 202.15 g/mol. Its IUPAC name is 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
PubChem CID90981327
Molecular FormulaC7H10F4O2
Molecular Weight202.15 g/mol
Exact Mass202.06
IUPAC Name2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C7H10F4O2/c1-4(2)6(9)5(3,8)12-7(10,11)13-6/h4H,1-3H3
InChIKeyOBLOUNHYWIKVKB-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane (CID 90981327) is 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane is CC(C)C1(F)OC(F)(F)OC1(C)F.
What is the InChIKey of 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
The InChIKey is OBLOUNHYWIKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O2/c1-4(2)6(9)5(3,8)12-7(10,11)13-6/h4H,1-3H3.
What are the key properties of 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane?
2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane has a molecular weight of 202.15 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 90981327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).