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

C7H11F3O2 — CID 91583322

IUPAC2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(F)OC(F)(F)OC1C
InChIInChI=1S/C7H11F3O2/c1-4(2)6(8)5(3)11-7(9,10)12-6/h4-5H,1-3H3
InChIKeyCBMKBSOIWIBZFT-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.29
Rot. Bonds1

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

2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane (PubChem CID 91583322) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
PubChem CID91583322
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1(F)OC(F)(F)OC1C
InChIInChI=1S/C7H11F3O2/c1-4(2)6(8)5(3)11-7(9,10)12-6/h4-5H,1-3H3
InChIKeyCBMKBSOIWIBZFT-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane (CID 91583322) is 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane is CC(C)C1(F)OC(F)(F)OC1C.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane?
The InChIKey is CBMKBSOIWIBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4(2)6(8)5(3)11-7(9,10)12-6/h4-5H,1-3H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane has a molecular weight of 184.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methyl-4-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 91583322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).