2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane

C8H5F11O2 — CID 87834231

IUPAC2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane
SMILESCC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)C1(F)OC1(F)F
InChIInChI=1S/C8H5F11O2/c1-2(3(9)4(10)7(16,17)21-4)20-8(18,19)5(11,12)6(13,14)15/h2-3H,1H3
InChIKeyYAMZTANZJCTZKB-UHFFFAOYSA-N
MW342.10 g/mol
LogP3.81
Rot. Bonds5

About 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane

2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane (PubChem CID 87834231) has the molecular formula C8H5F11O2 and a molecular weight of 342.10 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane
PubChem CID87834231
Molecular FormulaC8H5F11O2
Molecular Weight342.10 g/mol
Exact Mass342.01
IUPAC Name2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane
SMILESCC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)C1(F)OC1(F)F
InChIInChI=1S/C8H5F11O2/c1-2(3(9)4(10)7(16,17)21-4)20-8(18,19)5(11,12)6(13,14)15/h2-3H,1H3
InChIKeyYAMZTANZJCTZKB-UHFFFAOYSA-N
XLogP3.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane?
The IUPAC name of 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane (CID 87834231) is 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane.
What is the SMILES notation for 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane?
The canonical SMILES for 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane is CC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)C1(F)OC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane?
The InChIKey is YAMZTANZJCTZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O2/c1-2(3(9)4(10)7(16,17)21-4)20-8(18,19)5(11,12)6(13,14)15/h2-3H,1H3.
What are the key properties of 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane?
2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane has a molecular weight of 342.10 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-[1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]oxirane is sourced from PubChem (CID 87834231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).