2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane

C11H16F2O2 — CID 143291854

IUPAC2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane
SMILESC/C=C\C1=C(/C=C\C)OC(F)(F)O1.CC
InChIInChI=1S/C9H10F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyYCZWTDWGKXTEBD-VIOUERSGSA-N
MW218.24 g/mol
LogP3.97
Rot. Bonds2

About 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane

2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane (PubChem CID 143291854) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane.

Molecular Properties

Compound Name2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane
PubChem CID143291854
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane
SMILESC/C=C\C1=C(/C=C\C)OC(F)(F)O1.CC
InChIInChI=1S/C9H10F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyYCZWTDWGKXTEBD-VIOUERSGSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane?
The IUPAC name of 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane (CID 143291854) is 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane.
What is the SMILES notation for 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane?
The canonical SMILES for 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane is C/C=C\C1=C(/C=C\C)OC(F)(F)O1.CC.
What is the InChIKey of 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane?
The InChIKey is YCZWTDWGKXTEBD-VIOUERSGSA-N. The full InChI is InChI=1S/C9H10F2O2.C2H6/c1-3-5-7-8(6-4-2)13-9(10,11)12-7;1-2/h3-6H,1-2H3;1-2H3/b5-3-,6-4-;.
What are the key properties of 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane?
2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane has a molecular weight of 218.24 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,5-bis[(Z)-prop-1-enyl]-1,3-dioxole;ethane is sourced from PubChem (CID 143291854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).