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

C9H11F3O4 — CID 138668564

IUPAC4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESCCCC1(OCC(F)=C(F)F)COC(=O)O1
InChIInChI=1S/C9H11F3O4/c1-2-3-9(5-14-8(13)16-9)15-4-6(10)7(11)12/h2-5H2,1H3
InChIKeyXECDDGZWDWFPOQ-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.74
Rot. Bonds5

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

4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 138668564) has the molecular formula C9H11F3O4 and a molecular weight of 240.18 g/mol. Its IUPAC name is 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
PubChem CID138668564
Molecular FormulaC9H11F3O4
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESCCCC1(OCC(F)=C(F)F)COC(=O)O1
InChIInChI=1S/C9H11F3O4/c1-2-3-9(5-14-8(13)16-9)15-4-6(10)7(11)12/h2-5H2,1H3
InChIKeyXECDDGZWDWFPOQ-UHFFFAOYSA-N
XLogP2.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (CID 138668564) is 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is CCCC1(OCC(F)=C(F)F)COC(=O)O1.
What is the InChIKey of 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is XECDDGZWDWFPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O4/c1-2-3-9(5-14-8(13)16-9)15-4-6(10)7(11)12/h2-5H2,1H3.
What are the key properties of 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 138668564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).