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

C7H5F5O4 — CID 138667810

IUPAC4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H5F5O4/c8-4(9)1-2-15-6(7(10,11)12)3-14-5(13)16-6/h1H,2-3H2
InChIKeyJTHIBVALWYPELQ-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.21
Rot. Bonds3

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

4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 138667810) has the molecular formula C7H5F5O4 and a molecular weight of 248.10 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID138667810
Molecular FormulaC7H5F5O4
Molecular Weight248.10 g/mol
Exact Mass248.01
IUPAC Name4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H5F5O4/c8-4(9)1-2-15-6(7(10,11)12)3-14-5(13)16-6/h1H,2-3H2
InChIKeyJTHIBVALWYPELQ-UHFFFAOYSA-N
XLogP2.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.21
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-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 138667810) is 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OCC(OCC=C(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is JTHIBVALWYPELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5O4/c8-4(9)1-2-15-6(7(10,11)12)3-14-5(13)16-6/h1H,2-3H2.
What are the key properties of 4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-(3,3-difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 248.10 g/mol, XLogP of 2.21, 3 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-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).