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

C9H12F2O4 — CID 138668560

IUPAC4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(OCC=C(F)F)COC(=O)O1
InChIInChI=1S/C9H12F2O4/c1-2-4-9(6-13-8(12)15-9)14-5-3-7(10)11/h3H,2,4-6H2,1H3
InChIKeyRIEBYHWBGUHOJY-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.45
Rot. Bonds5

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

4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one (PubChem CID 138668560) has the molecular formula C9H12F2O4 and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
PubChem CID138668560
Molecular FormulaC9H12F2O4
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
SMILESCCCC1(OCC=C(F)F)COC(=O)O1
InChIInChI=1S/C9H12F2O4/c1-2-4-9(6-13-8(12)15-9)14-5-3-7(10)11/h3H,2,4-6H2,1H3
InChIKeyRIEBYHWBGUHOJY-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one (CID 138668560) is 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one is CCCC1(OCC=C(F)F)COC(=O)O1.
What is the InChIKey of 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
The InChIKey is RIEBYHWBGUHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O4/c1-2-4-9(6-13-8(12)15-9)14-5-3-7(10)11/h3H,2,4-6H2,1H3.
What are the key properties of 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one?
4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one has a molecular weight of 222.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).