5-ethoxy-1,1-difluoropent-1-ene

C7H12F2O — CID 90891531

IUPAC5-ethoxy-1,1-difluoropent-1-ene
SMILESCCOCCCC=C(F)F
InChIInChI=1S/C7H12F2O/c1-2-10-6-4-3-5-7(8)9/h5H,2-4,6H2,1H3
InChIKeyUOAIFFOYJCLFBN-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.58
Rot. Bonds5

About 5-ethoxy-1,1-difluoropent-1-ene

5-ethoxy-1,1-difluoropent-1-ene (PubChem CID 90891531) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 5-ethoxy-1,1-difluoropent-1-ene.

Molecular Properties

Compound Name5-ethoxy-1,1-difluoropent-1-ene
PubChem CID90891531
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name5-ethoxy-1,1-difluoropent-1-ene
SMILESCCOCCCC=C(F)F
InChIInChI=1S/C7H12F2O/c1-2-10-6-4-3-5-7(8)9/h5H,2-4,6H2,1H3
InChIKeyUOAIFFOYJCLFBN-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1-difluoropent-1-ene?
The IUPAC name of 5-ethoxy-1,1-difluoropent-1-ene (CID 90891531) is 5-ethoxy-1,1-difluoropent-1-ene.
What is the SMILES notation for 5-ethoxy-1,1-difluoropent-1-ene?
The canonical SMILES for 5-ethoxy-1,1-difluoropent-1-ene is CCOCCCC=C(F)F.
What is the InChIKey of 5-ethoxy-1,1-difluoropent-1-ene?
The InChIKey is UOAIFFOYJCLFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-10-6-4-3-5-7(8)9/h5H,2-4,6H2,1H3.
What are the key properties of 5-ethoxy-1,1-difluoropent-1-ene?
5-ethoxy-1,1-difluoropent-1-ene has a molecular weight of 150.17 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1-difluoropent-1-ene is sourced from PubChem (CID 90891531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).