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

C7H6F8O — CID 12561590

IUPAC2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CO1
InChIInChI=1S/C7H6F8O/c1-4(2-16-4)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3
InChIKeyINFXVZUASHWXOM-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.95
Rot. Bonds4

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

2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane (PubChem CID 12561590) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
PubChem CID12561590
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CO1
InChIInChI=1S/C7H6F8O/c1-4(2-16-4)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3
InChIKeyINFXVZUASHWXOM-UHFFFAOYSA-N
XLogP2.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.95
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

(Perfluoro-n-octyl)methyl oxirane
CID 85561887
(Perfluorobutyl)methyloxirane
CID 89279490
2-[2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butyl]oxirane
CID 2775048
2-(2,2,3,4,4,4-Hexafluoro-3-methylbutyl)oxirane
CID 18702689
2-[2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butyl]oxirane
CID 54131184
2-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58107265
2-[2,2,4,4,4-Pentafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58659971
2-[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)oxirane
CID 88925542
2-(3,3-Difluorobutyl)-2-methyloxirane
CID 134451867
2-(2-Fluorobutyl)-2-methyloxirane
CID 140020134
2-Methyl-2-(2,2,3,3,3-pentafluoropropyl)oxirane
CID 140269809
2-Butyl-3-fluoro-2-methyloxirane
CID 141187892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The IUPAC name of 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane (CID 12561590) is 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane.
What is the SMILES notation for 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The canonical SMILES for 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane is CC1(C(F)(F)C(F)(F)C(F)(F)C(F)F)CO1.
What is the InChIKey of 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The InChIKey is INFXVZUASHWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-4(2-16-4)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3.
What are the key properties of 2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
2-methyl-2-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane has a molecular weight of 258.11 g/mol, XLogP of 2.95, 4 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-octafluorobutyl)oxirane is sourced from PubChem (CID 12561590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).