3-ethoxy-4,4-difluoropenta-1,2-diene

C7H10F2O — CID 88960639

IUPAC3-ethoxy-4,4-difluoropenta-1,2-diene
SMILESC=C=C(OCC)C(C)(F)F
InChIInChI=1S/C7H10F2O/c1-4-6(10-5-2)7(3,8)9/h1,5H2,2-3H3
InChIKeyQQQNJCDKJXVKKV-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.35
Rot. Bonds3

About 3-ethoxy-4,4-difluoropenta-1,2-diene

3-ethoxy-4,4-difluoropenta-1,2-diene (PubChem CID 88960639) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 3-ethoxy-4,4-difluoropenta-1,2-diene.

Molecular Properties

Compound Name3-ethoxy-4,4-difluoropenta-1,2-diene
PubChem CID88960639
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name3-ethoxy-4,4-difluoropenta-1,2-diene
SMILESC=C=C(OCC)C(C)(F)F
InChIInChI=1S/C7H10F2O/c1-4-6(10-5-2)7(3,8)9/h1,5H2,2-3H3
InChIKeyQQQNJCDKJXVKKV-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.35
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 3-ethoxy-4,4-difluoropenta-1,2-diene?
The IUPAC name of 3-ethoxy-4,4-difluoropenta-1,2-diene (CID 88960639) is 3-ethoxy-4,4-difluoropenta-1,2-diene.
What is the SMILES notation for 3-ethoxy-4,4-difluoropenta-1,2-diene?
The canonical SMILES for 3-ethoxy-4,4-difluoropenta-1,2-diene is C=C=C(OCC)C(C)(F)F.
What is the InChIKey of 3-ethoxy-4,4-difluoropenta-1,2-diene?
The InChIKey is QQQNJCDKJXVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-4-6(10-5-2)7(3,8)9/h1,5H2,2-3H3.
What are the key properties of 3-ethoxy-4,4-difluoropenta-1,2-diene?
3-ethoxy-4,4-difluoropenta-1,2-diene has a molecular weight of 148.15 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-difluoropenta-1,2-diene is sourced from PubChem (CID 88960639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).