2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene

C7H9F5O3 — CID 87168461

IUPAC2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCOC(OC)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5O3/c1-3-14-6(13-2)15-4(5(8)9)7(10,11)12/h6H,3H2,1-2H3
InChIKeyKORMLOKVECFQNG-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.64
Rot. Bonds5

About 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene

2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 87168461) has the molecular formula C7H9F5O3 and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID87168461
Molecular FormulaC7H9F5O3
Molecular Weight236.14 g/mol
Exact Mass236.05
IUPAC Name2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCOC(OC)OC(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F5O3/c1-3-14-6(13-2)15-4(5(8)9)7(10,11)12/h6H,3H2,1-2H3
InChIKeyKORMLOKVECFQNG-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene (CID 87168461) is 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene is CCOC(OC)OC(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is KORMLOKVECFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O3/c1-3-14-6(13-2)15-4(5(8)9)7(10,11)12/h6H,3H2,1-2H3.
What are the key properties of 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene?
2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 236.14 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methoxy)methoxy]-1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 87168461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).