(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane

C9H9F3O2 — CID 139314044

IUPAC(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane
SMILESC=C1OC(F)(F)O/C1=C/C(F)=C(C)C
InChIInChI=1S/C9H9F3O2/c1-5(2)7(10)4-8-6(3)13-9(11,12)14-8/h4H,3H2,1-2H3/b8-4+
InChIKeyOSRMEOMLTLPYTB-XBXARRHUSA-N
MW206.16 g/mol
LogP3.24
Rot. Bonds1

About (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane

(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane (PubChem CID 139314044) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane
PubChem CID139314044
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane
SMILESC=C1OC(F)(F)O/C1=C/C(F)=C(C)C
InChIInChI=1S/C9H9F3O2/c1-5(2)7(10)4-8-6(3)13-9(11,12)14-8/h4H,3H2,1-2H3/b8-4+
InChIKeyOSRMEOMLTLPYTB-XBXARRHUSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane?
The IUPAC name of (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane (CID 139314044) is (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane.
What is the SMILES notation for (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane?
The canonical SMILES for (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane is C=C1OC(F)(F)O/C1=C/C(F)=C(C)C.
What is the InChIKey of (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane?
The InChIKey is OSRMEOMLTLPYTB-XBXARRHUSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-5(2)7(10)4-8-6(3)13-9(11,12)14-8/h4H,3H2,1-2H3/b8-4+.
What are the key properties of (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane?
(4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane has a molecular weight of 206.16 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,2-difluoro-4-(2-fluoro-3-methylbut-2-enylidene)-5-methylidene-1,3-dioxolane is sourced from PubChem (CID 139314044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).