2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane

Name: 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₅F₉O₂ — CID 139908409

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane

SMILESFC(F)(F)C(=COC(C1CO1)C(F)(F)F)C(F)(F)F

InChIInChI=1S/C8H5F9O2/c9-6(10,11)4(7(12,13)14)2-19-5(3-1-18-3)8(15,16)17/h2-3,5H,1H2

InChIKeyWZWZTDOCTVAMOM-UHFFFAOYSA-N

MW304.11 g/mol

LogP3.34

Rot. Bonds3

About 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane

2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane (PubChem CID 139908409) has the molecular formula C₈H₅F₉O₂ and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane.

Molecular Properties

Compound Name	2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane
PubChem CID	139908409
Molecular Formula	C₈H₅F₉O₂
Molecular Weight	304.11 g/mol
Exact Mass	304.01
IUPAC Name	2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane
SMILES	FC(F)(F)C(=COC(C1CO1)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C8H5F9O2/c9-6(10,11)4(7(12,13)14)2-19-5(3-1-18-3)8(15,16)17/h2-3,5H,1H2
InChIKey	WZWZTDOCTVAMOM-UHFFFAOYSA-N
XLogP	3.34
TPSA	21.76 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.11
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane?

The IUPAC name of 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane (CID 139908409) is 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane.

What is the SMILES notation for 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane?

The canonical SMILES for 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane is FC(F)(F)C(=COC(C1CO1)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane?

The InChIKey is WZWZTDOCTVAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O2/c9-6(10,11)4(7(12,13)14)2-19-5(3-1-18-3)8(15,16)17/h2-3,5H,1H2.

What are the key properties of 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane?

2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane has a molecular weight of 304.11 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane is sourced from PubChem (CID 139908409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139908409 — identifiers, structure, computed properties (public domain)

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