4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene

C8H12F2O — CID 22623367

IUPAC4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(CCF)OC(=C)CCF
InChIInChI=1S/C8H12F2O/c1-7(3-5-9)11-8(2)4-6-10/h1-6H2
InChIKeyONSQTFINYAQGNG-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.75
Rot. Bonds6

About 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene

4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene (PubChem CID 22623367) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene
PubChem CID22623367
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene
SMILESC=C(CCF)OC(=C)CCF
InChIInChI=1S/C8H12F2O/c1-7(3-5-9)11-8(2)4-6-10/h1-6H2
InChIKeyONSQTFINYAQGNG-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene (CID 22623367) is 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene is C=C(CCF)OC(=C)CCF.
What is the InChIKey of 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene?
The InChIKey is ONSQTFINYAQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-7(3-5-9)11-8(2)4-6-10/h1-6H2.
What are the key properties of 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene?
4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene has a molecular weight of 162.18 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorobut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 22623367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).