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

C5HF9O2 — CID 15584747

IUPAC4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC1OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C5HF9O2/c6-1-2(7,8)16-3(15-1,4(9,10)11)5(12,13)14/h1H
InChIKeyOGEHVSNOZYTHPH-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.74
Rot. Bonds

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

4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 15584747) has the molecular formula C5HF9O2 and a molecular weight of 264.04 g/mol. Its IUPAC name is 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID15584747
Molecular FormulaC5HF9O2
Molecular Weight264.04 g/mol
Exact Mass263.98
IUPAC Name4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESFC1OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C5HF9O2/c6-1-2(7,8)16-3(15-1,4(9,10)11)5(12,13)14/h1H
InChIKeyOGEHVSNOZYTHPH-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 15584747) is 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is FC1OC(C(F)(F)F)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is OGEHVSNOZYTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O2/c6-1-2(7,8)16-3(15-1,4(9,10)11)5(12,13)14/h1H.
What are the key properties of 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 264.04 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 15584747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).