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

C5H3F7O — CID 88924913

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
SMILESFC(F)(F)C(F)(C1CO1)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-3(2-1-13-2,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyCENVXROBYKHEQH-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.22
Rot. Bonds1

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

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane (PubChem CID 88924913) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
PubChem CID88924913
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
SMILESFC(F)(F)C(F)(C1CO1)C(F)(F)F
InChIInChI=1S/C5H3F7O/c6-3(2-1-13-2,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyCENVXROBYKHEQH-UHFFFAOYSA-N
XLogP2.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-yl)oxirane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane (CID 88924913) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane is FC(F)(F)C(F)(C1CO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
The InChIKey is CENVXROBYKHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c6-3(2-1-13-2,4(7,8)9)5(10,11)12/h2H,1H2.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane has a molecular weight of 212.06 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane is sourced from PubChem (CID 88924913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).