2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane

C7H7F7O2 — CID 12035248

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)COCC1CO1
InChIInChI=1S/C7H7F7O2/c8-5(9,3-15-1-4-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeySRPBEKWTJQBCPF-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.23
Rot. Bonds5

About 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane

2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane (PubChem CID 12035248) has the molecular formula C7H7F7O2 and a molecular weight of 256.12 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane
PubChem CID12035248
Molecular FormulaC7H7F7O2
Molecular Weight256.12 g/mol
Exact Mass256.03
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)COCC1CO1
InChIInChI=1S/C7H7F7O2/c8-5(9,3-15-1-4-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeySRPBEKWTJQBCPF-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.23
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-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane (CID 12035248) is 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)COCC1CO1.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane?
The InChIKey is SRPBEKWTJQBCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O2/c8-5(9,3-15-1-4-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2.
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane?
2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane has a molecular weight of 256.12 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane is sourced from PubChem (CID 12035248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).