4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole

C11H12F2O2 — CID 163966226

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole
SMILESC=C/C=C\C1=C(/C=C\CC)OC(F)(F)O1
InChIInChI=1S/C11H12F2O2/c1-3-5-7-9-10(8-6-4-2)15-11(12,13)14-9/h3,5-8H,1,4H2,2H3/b7-5-,8-6-
InChIKeySMAAABUHROJWPN-SFECMWDFSA-N
MW214.21 g/mol
LogP3.50
Rot. Bonds4

About 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole

4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole (PubChem CID 163966226) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole
PubChem CID163966226
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole
SMILESC=C/C=C\C1=C(/C=C\CC)OC(F)(F)O1
InChIInChI=1S/C11H12F2O2/c1-3-5-7-9-10(8-6-4-2)15-11(12,13)14-9/h3,5-8H,1,4H2,2H3/b7-5-,8-6-
InChIKeySMAAABUHROJWPN-SFECMWDFSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.50
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-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole (CID 163966226) is 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole is C=C/C=C\C1=C(/C=C\CC)OC(F)(F)O1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole?
The InChIKey is SMAAABUHROJWPN-SFECMWDFSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-5-7-9-10(8-6-4-2)15-11(12,13)14-9/h3,5-8H,1,4H2,2H3/b7-5-,8-6-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole?
4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole has a molecular weight of 214.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-[(Z)-but-1-enyl]-2,2-difluoro-1,3-dioxole is sourced from PubChem (CID 163966226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).