3,3-difluoro-4-(2-fluoroethoxy)but-1-ene

C6H9F3O — CID 91692281

IUPAC3,3-difluoro-4-(2-fluoroethoxy)but-1-ene
SMILESC=CC(F)(F)COCCF
InChIInChI=1S/C6H9F3O/c1-2-6(8,9)5-10-4-3-7/h2H,1,3-5H2
InChIKeyWISXFKGOFBIIHT-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.79
Rot. Bonds5

About 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene

3,3-difluoro-4-(2-fluoroethoxy)but-1-ene (PubChem CID 91692281) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene.

Molecular Properties

Compound Name3,3-difluoro-4-(2-fluoroethoxy)but-1-ene
PubChem CID91692281
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name3,3-difluoro-4-(2-fluoroethoxy)but-1-ene
SMILESC=CC(F)(F)COCCF
InChIInChI=1S/C6H9F3O/c1-2-6(8,9)5-10-4-3-7/h2H,1,3-5H2
InChIKeyWISXFKGOFBIIHT-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene?
The IUPAC name of 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene (CID 91692281) is 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene.
What is the SMILES notation for 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene?
The canonical SMILES for 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene is C=CC(F)(F)COCCF.
What is the InChIKey of 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene?
The InChIKey is WISXFKGOFBIIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-6(8,9)5-10-4-3-7/h2H,1,3-5H2.
What are the key properties of 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene?
3,3-difluoro-4-(2-fluoroethoxy)but-1-ene has a molecular weight of 154.13 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-fluoroethoxy)but-1-ene is sourced from PubChem (CID 91692281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).