4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one

C7H4F6O4 — CID 138667809

IUPAC4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H4F6O4/c8-3(4(9)10)1-16-6(7(11,12)13)2-15-5(14)17-6/h1-2H2
InChIKeyKINPHRWKORVFKD-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.51
Rot. Bonds3

About 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one

4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 138667809) has the molecular formula C7H4F6O4 and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
PubChem CID138667809
Molecular FormulaC7H4F6O4
Molecular Weight266.09 g/mol
Exact Mass266.00
IUPAC Name4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H4F6O4/c8-3(4(9)10)1-16-6(7(11,12)13)2-15-5(14)17-6/h1-2H2
InChIKeyKINPHRWKORVFKD-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (CID 138667809) is 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is O=C1OCC(OCC(F)=C(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is KINPHRWKORVFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O4/c8-3(4(9)10)1-16-6(7(11,12)13)2-15-5(14)17-6/h1-2H2.
What are the key properties of 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 266.09 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).