1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene

C5H5F5O — CID 85412315

IUPAC1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
SMILESCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3
InChIKeyJAZOPEQWWDRRSN-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.69
Rot. Bonds2

About 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene

1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene (PubChem CID 85412315) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
PubChem CID85412315
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
SMILESCCOC(F)=C(F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3
InChIKeyJAZOPEQWWDRRSN-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.69
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 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene (CID 85412315) is 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene is CCOC(F)=C(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The InChIKey is JAZOPEQWWDRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3.
What are the key properties of 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene has a molecular weight of 176.08 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 85412315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).