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

C8H5F9O2 — CID 139908409

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 Name2-[2,2,2-trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane
PubChem CID139908409
Molecular FormulaC8H5F9O2
Molecular Weight304.11 g/mol
Exact Mass304.01
IUPAC Name2-[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
XLogP3.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612472
2-[[(Z)-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612474
2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 58612478
2-{[(1,3,3,3-Tetrafluoroprop-1-en-1-yl)oxy]methyl}oxirane
CID 71405469
2-(2,3,3,3-Tetrafluoroprop-1-enoxymethyl)oxirane
CID 76837658
2-Pentafluoropropenyloxymethyl-oxirane
CID 76837663
2-[[(E)-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924473
2-[[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 87924656
2-[[(Z)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
CID 87924675
2-(2,3,4,4,4-Pentafluoro-1,3-bis-trifluoromethyl-but-1-enyloxymethyl)-oxirane
CID 131738211
2-[2,2,2-Trifluoro-1-[3,3,4,4,4-pentafluoro-2-(trifluoromethyl)but-1-enoxy]ethyl]oxirane
CID 139908397
2-[2,2,3,3,3-Pentafluoro-1-[3,3,4,4,4-pentafluoro-2-(1,1,2,2,2-pentafluoroethyl)but-1-enoxy]propyl]oxirane
CID 139908405

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).