4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole

C8H8F2O2 — CID 143486268

IUPAC4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole
SMILESC=CC1=C(C(=C)C)OC(F)(F)O1
InChIInChI=1S/C8H8F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h4H,1-2H2,3H3
InChIKeyFNLYJSNNERZDNL-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.56
Rot. Bonds2

About 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole

4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole (PubChem CID 143486268) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole
PubChem CID143486268
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole
SMILESC=CC1=C(C(=C)C)OC(F)(F)O1
InChIInChI=1S/C8H8F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h4H,1-2H2,3H3
InChIKeyFNLYJSNNERZDNL-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole?
The IUPAC name of 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole (CID 143486268) is 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole?
The canonical SMILES for 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole is C=CC1=C(C(=C)C)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole?
The InChIKey is FNLYJSNNERZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h4H,1-2H2,3H3.
What are the key properties of 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole?
4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole has a molecular weight of 174.15 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-difluoro-5-prop-1-en-2-yl-1,3-dioxole is sourced from PubChem (CID 143486268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).