2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane

C6H5F7O2 — CID 22715514

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane
SMILESFC(F)(F)C(F)(OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c7-4(5(8,9)10,6(11,12)13)15-2-3-1-14-3/h3H,1-2H2
InChIKeyRJFWXWNWUNDRLN-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.19
Rot. Bonds3

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane (PubChem CID 22715514) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane
PubChem CID22715514
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane
SMILESFC(F)(F)C(F)(OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H5F7O2/c7-4(5(8,9)10,6(11,12)13)15-2-3-1-14-3/h3H,1-2H2
InChIKeyRJFWXWNWUNDRLN-UHFFFAOYSA-N
XLogP2.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane (CID 22715514) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane is FC(F)(F)C(F)(OCC1CO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane?
The InChIKey is RJFWXWNWUNDRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c7-4(5(8,9)10,6(11,12)13)15-2-3-1-14-3/h3H,1-2H2.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane has a molecular weight of 242.09 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)oxirane is sourced from PubChem (CID 22715514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).