2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane

C6H5F5O2 — CID 58612478

IUPAC2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(OCC1CO1)=C(/F)C(F)(F)F
InChIInChI=1S/C6H5F5O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-
InChIKeyNFNPBNYFCBHSPI-PLNGDYQASA-N
MW204.09 g/mol
LogP2.07
Rot. Bonds3

About 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane

2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane (PubChem CID 58612478) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
PubChem CID58612478
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane
SMILESF/C(OCC1CO1)=C(/F)C(F)(F)F
InChIInChI=1S/C6H5F5O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-
InChIKeyNFNPBNYFCBHSPI-PLNGDYQASA-N
XLogP2.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.07
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'}

Analyze 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(Z)-2,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612472
2-[[(E)-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
CID 58612473
2-[[(Z)-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612474
2-[[(E)-2-bromo-1,3,3,3-tetrafluoroprop-1-enoxy]methyl]oxirane
CID 58612475
2-[[(Z)-2-chloro-3,3,3-trifluoroprop-1-enoxy]methyl]oxirane
CID 58612476
2-[[(E)-1,2-difluoroprop-1-enoxy]methyl]oxirane
CID 58612477
2-(1,1,3-Trifluoroprop-1-en-2-yloxymethyl)oxirane
CID 58858724
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-(3,3,3-Trifluoroprop-1-enoxymethyl)oxirane
CID 76837659
2-[(2-Bromo-1,3,3,3-tetrafluoroprop-1-enoxy)methyl]oxirane
CID 76837660
2-(2-Chloro-3,3,3-trifluoropropenyloxymethyl)-oxirane
CID 76837661

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane (CID 58612478) is 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane is F/C(OCC1CO1)=C(/F)C(F)(F)F.
What is the InChIKey of 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane?
The InChIKey is NFNPBNYFCBHSPI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H5F5O2/c7-4(6(9,10)11)5(8)13-2-3-1-12-3/h3H,1-2H2/b5-4-.
What are the key properties of 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane?
2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane has a molecular weight of 204.09 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-1,2,3,3,3-pentafluoroprop-1-enoxy]methyl]oxirane is sourced from PubChem (CID 58612478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).