(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene

C5H5F5O — CID 11137645

IUPAC(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
SMILESCCO/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3/b4-3-
InChIKeyJAZOPEQWWDRRSN-ARJAWSKDSA-N
MW176.08 g/mol
LogP2.69
Rot. Bonds2

About (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene

(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene (PubChem CID 11137645) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
PubChem CID11137645
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
SMILESCCO/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3/b4-3-
InChIKeyJAZOPEQWWDRRSN-ARJAWSKDSA-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'}

Analyze (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene (CID 11137645) is (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene is CCO/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
The InChIKey is JAZOPEQWWDRRSN-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H5F5O/c1-2-11-4(7)3(6)5(8,9)10/h2H2,1H3/b4-3-.
What are the key properties of (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene?
(E)-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 (E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 11137645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).