2,4-bis(trifluoromethyl)-1,3-dioxole

C5H2F6O2 — CID 22182916

IUPAC2,4-bis(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1=COC(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1,3H
InChIKeyJIDKGNNHXUXWSQ-UHFFFAOYSA-N
MW208.06 g/mol
LogP2.33
Rot. Bonds

About 2,4-bis(trifluoromethyl)-1,3-dioxole

2,4-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 22182916) has the molecular formula C5H2F6O2 and a molecular weight of 208.06 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-1,3-dioxole
PubChem CID22182916
Molecular FormulaC5H2F6O2
Molecular Weight208.06 g/mol
Exact Mass208.00
IUPAC Name2,4-bis(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1=COC(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1,3H
InChIKeyJIDKGNNHXUXWSQ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2,4-bis(trifluoromethyl)-1,3-dioxole (CID 22182916) is 2,4-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2,4-bis(trifluoromethyl)-1,3-dioxole is FC(F)(F)C1=COC(C(F)(F)F)O1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is JIDKGNNHXUXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2/c6-4(7,8)2-1-12-3(13-2)5(9,10)11/h1,3H.
What are the key properties of 2,4-bis(trifluoromethyl)-1,3-dioxole?
2,4-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 208.06 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 22182916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).