2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane

C7H5F9O — CID 89279490

IUPAC2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C7H5F9O/c1-3(2-17-3)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKeyUZIFALNIYMMNQB-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.24
Rot. Bonds3

About 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane

2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane (PubChem CID 89279490) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
PubChem CID89279490
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C7H5F9O/c1-3(2-17-3)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKeyUZIFALNIYMMNQB-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The IUPAC name of 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane (CID 89279490) is 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane.
What is the SMILES notation for 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The canonical SMILES for 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane is CC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CO1.
What is the InChIKey of 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
The InChIKey is UZIFALNIYMMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-3(2-17-3)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3.
What are the key properties of 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane?
2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane has a molecular weight of 276.10 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane is sourced from PubChem (CID 89279490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).