2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane

C4HF7O2 — CID 19745405

IUPAC2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane
SMILESFC1(F)OC(C(F)(F)F)C(F)(F)O1
InChIInChI=1S/C4HF7O2/c5-2(6,7)1-3(8,9)13-4(10,11)12-1/h1H
InChIKeyXCQVENKJAFUHEL-UHFFFAOYSA-N
MW214.04 g/mol
LogP2.11
Rot. Bonds

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

2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 19745405) has the molecular formula C4HF7O2 and a molecular weight of 214.04 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID19745405
Molecular FormulaC4HF7O2
Molecular Weight214.04 g/mol
Exact Mass213.99
IUPAC Name2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane
SMILESFC1(F)OC(C(F)(F)F)C(F)(F)O1
InChIInChI=1S/C4HF7O2/c5-2(6,7)1-3(8,9)13-4(10,11)12-1/h1H
InChIKeyXCQVENKJAFUHEL-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane (CID 19745405) is 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane is FC1(F)OC(C(F)(F)F)C(F)(F)O1.
What is the InChIKey of 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XCQVENKJAFUHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2/c5-2(6,7)1-3(8,9)13-4(10,11)12-1/h1H.
What are the key properties of 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane?
2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 214.04 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 19745405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).