4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole

C10H10F2O2 — CID 166806450

IUPAC4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole
SMILESC=C/C=C(/C)C1=C(C=C)OC(F)(F)O1
InChIInChI=1S/C10H10F2O2/c1-4-6-7(3)9-8(5-2)13-10(11,12)14-9/h4-6H,1-2H2,3H3/b7-6-
InChIKeyNOCVKKRBZQWJDG-SREVYHEPSA-N
MW200.18 g/mol
LogP3.11
Rot. Bonds3

About 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole

4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole (PubChem CID 166806450) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole
PubChem CID166806450
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole
SMILESC=C/C=C(/C)C1=C(C=C)OC(F)(F)O1
InChIInChI=1S/C10H10F2O2/c1-4-6-7(3)9-8(5-2)13-10(11,12)14-9/h4-6H,1-2H2,3H3/b7-6-
InChIKeyNOCVKKRBZQWJDG-SREVYHEPSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole?
The IUPAC name of 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole (CID 166806450) is 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole?
The canonical SMILES for 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole is C=C/C=C(/C)C1=C(C=C)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole?
The InChIKey is NOCVKKRBZQWJDG-SREVYHEPSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-4-6-7(3)9-8(5-2)13-10(11,12)14-9/h4-6H,1-2H2,3H3/b7-6-.
What are the key properties of 4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole?
4-ethenyl-2,2-difluoro-5-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole has a molecular weight of 200.18 g/mol, XLogP of 3.11, 3 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-[(2Z)-penta-2,4-dien-2-yl]-1,3-dioxole is sourced from PubChem (CID 166806450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).