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

C9H5F11O2 — CID 139908410

IUPAC2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane
SMILESFC(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(3-1-21-3)22-2-4(7(12,13)14)8(15,16)17/h2-3,5H,1H2
InChIKeyVRVDEWQYFKMHRL-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.98
Rot. Bonds4

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

2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane (PubChem CID 139908410) has the molecular formula C9H5F11O2 and a molecular weight of 354.12 g/mol. Its IUPAC name is 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane.

Molecular Properties

Compound Name2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane
PubChem CID139908410
Molecular FormulaC9H5F11O2
Molecular Weight354.12 g/mol
Exact Mass354.01
IUPAC Name2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane
SMILESFC(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(3-1-21-3)22-2-4(7(12,13)14)8(15,16)17/h2-3,5H,1H2
InChIKeyVRVDEWQYFKMHRL-UHFFFAOYSA-N
XLogP3.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2,2,2-Trifluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]ethyl]oxirane
CID 139908409

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane?
The IUPAC name of 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane (CID 139908410) is 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane.
What is the SMILES notation for 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane?
The canonical SMILES for 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane is FC(F)(F)C(=COC(C1CO1)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane?
The InChIKey is VRVDEWQYFKMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O2/c10-6(11,9(18,19)20)5(3-1-21-3)22-2-4(7(12,13)14)8(15,16)17/h2-3,5H,1H2.
What are the key properties of 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane?
2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane has a molecular weight of 354.12 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3,3,3-pentafluoro-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]propyl]oxirane is sourced from PubChem (CID 139908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).