2-ethoxy-1,1-difluorobut-1-ene

C6H10F2O — CID 89351519

IUPAC2-ethoxy-1,1-difluorobut-1-ene
SMILESCCOC(CC)=C(F)F
InChIInChI=1S/C6H10F2O/c1-3-5(6(7)8)9-4-2/h3-4H2,1-2H3
InChIKeyXKAMTHXRAAHULN-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.54
Rot. Bonds3

About 2-ethoxy-1,1-difluorobut-1-ene

2-ethoxy-1,1-difluorobut-1-ene (PubChem CID 89351519) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2-ethoxy-1,1-difluorobut-1-ene.

Molecular Properties

Compound Name2-ethoxy-1,1-difluorobut-1-ene
PubChem CID89351519
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2-ethoxy-1,1-difluorobut-1-ene
SMILESCCOC(CC)=C(F)F
InChIInChI=1S/C6H10F2O/c1-3-5(6(7)8)9-4-2/h3-4H2,1-2H3
InChIKeyXKAMTHXRAAHULN-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.54
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 2-ethoxy-1,1-difluorobut-1-ene?
The IUPAC name of 2-ethoxy-1,1-difluorobut-1-ene (CID 89351519) is 2-ethoxy-1,1-difluorobut-1-ene.
What is the SMILES notation for 2-ethoxy-1,1-difluorobut-1-ene?
The canonical SMILES for 2-ethoxy-1,1-difluorobut-1-ene is CCOC(CC)=C(F)F.
What is the InChIKey of 2-ethoxy-1,1-difluorobut-1-ene?
The InChIKey is XKAMTHXRAAHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-3-5(6(7)8)9-4-2/h3-4H2,1-2H3.
What are the key properties of 2-ethoxy-1,1-difluorobut-1-ene?
2-ethoxy-1,1-difluorobut-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1-difluorobut-1-ene is sourced from PubChem (CID 89351519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).