4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one

C7H6F6O3 — CID 167266680

IUPAC4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H6F6O3/c8-6(9,10)4(7(11,12)13)1-3-2-15-5(14)16-3/h3-4H,1-2H2
InChIKeyFGLAGJAVHIARQJ-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.65
Rot. Bonds2

About 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one

4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one (PubChem CID 167266680) has the molecular formula C7H6F6O3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one
PubChem CID167266680
Molecular FormulaC7H6F6O3
Molecular Weight252.11 g/mol
Exact Mass252.02
IUPAC Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H6F6O3/c8-6(9,10)4(7(11,12)13)1-3-2-15-5(14)16-3/h3-4H,1-2H2
InChIKeyFGLAGJAVHIARQJ-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one (CID 167266680) is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one is O=C1OCC(CC(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one?
The InChIKey is FGLAGJAVHIARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O3/c8-6(9,10)4(7(11,12)13)1-3-2-15-5(14)16-3/h3-4H,1-2H2.
What are the key properties of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one?
4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one has a molecular weight of 252.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 167266680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).