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

C6H5F7O — CID 2774886

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C6H5F7O/c7-4(8,1-3-2-14-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKeyYXNWXQYDINSHJC-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.61
Rot. Bonds3

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

2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane (PubChem CID 2774886) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane
PubChem CID2774886
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C6H5F7O/c7-4(8,1-3-2-14-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKeyYXNWXQYDINSHJC-UHFFFAOYSA-N
XLogP2.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.61
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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Related Compounds

3-Perfluorohexyl-1,2-epoxypropane
CID 170073
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane
CID 571982
3,3-Difluoro-3-(heptafluoropropyl)-1,2-propenoxide
CID 2775804
2,2,3,3,4,4,5,5,5-Nonafluoropentyloxirane
CID 2775819
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)oxirane
CID 2776077
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)oxirane
CID 2778502
2-(Heptafluoropropyl)oxirane
CID 4117033
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecyl)oxirane
CID 5744280
(4H-Octafluorobutyl)trifluorooxirane
CID 2776161
2-[2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butyl]oxirane
CID 2775048
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecyl)oxirane
CID 13531001
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl)oxirane
CID 16213162

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane (CID 2774886) is 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane?
The InChIKey is YXNWXQYDINSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c7-4(8,1-3-2-14-3)5(9,10)6(11,12)13/h3H,1-2H2.
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane?
2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane has a molecular weight of 226.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane is sourced from PubChem (CID 2774886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).