(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane

C11H14F2O2 — CID 143149831

IUPAC(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane
SMILESC=C/C=C1/OC(F)(F)O/C1=C/C=C.CC
InChIInChI=1S/C9H8F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H2;1-2H3/b7-5+,8-6+;
InChIKeyJSTLHKHMCZXNSZ-PUFOULASSA-N
MW216.23 g/mol
LogP3.75
Rot. Bonds2

About (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane

(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane (PubChem CID 143149831) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane.

Molecular Properties

Compound Name(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane
PubChem CID143149831
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane
SMILESC=C/C=C1/OC(F)(F)O/C1=C/C=C.CC
InChIInChI=1S/C9H8F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H2;1-2H3/b7-5+,8-6+;
InChIKeyJSTLHKHMCZXNSZ-PUFOULASSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane?
The IUPAC name of (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane (CID 143149831) is (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane.
What is the SMILES notation for (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane?
The canonical SMILES for (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane is C=C/C=C1/OC(F)(F)O/C1=C/C=C.CC.
What is the InChIKey of (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane?
The InChIKey is JSTLHKHMCZXNSZ-PUFOULASSA-N. The full InChI is InChI=1S/C9H8F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H2;1-2H3/b7-5+,8-6+;.
What are the key properties of (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane?
(4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane has a molecular weight of 216.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2,2-difluoro-4,5-bis(prop-2-enylidene)-1,3-dioxolane;ethane is sourced from PubChem (CID 143149831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).