2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane

C8H5F11O — CID 2776200

IUPAC2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2
InChIKeyBKXKCZGEIQKTBI-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.88
Rot. Bonds4

About 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane

2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane (PubChem CID 2776200) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane.

Molecular Properties

Compound Name2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane
PubChem CID2776200
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2
InChIKeyBKXKCZGEIQKTBI-UHFFFAOYSA-N
XLogP3.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.88
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

(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl)oxirane
CID 2776238
2-[2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
CID 2776230
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Icosafluoro-10-(trifluoromethyl)undecyl)oxirane
CID 4438230
[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-Tetracosafluoro-12-(trifluoromethyl)tridecyl]oxirane
CID 5743510
2,2-Bis(trifluoromethyl)-1H,1H-heptafluoropentyl]oxirane
CID 14219998
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-Octacosafluoro-14-(trifluoromethyl)pentadecyl)oxirane
CID 103864
[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-Dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
CID 5743511
(Perfluoro-n-octyl)methyl oxirane
CID 85561887
2-(2,2,3,3,4,5,5,5-Octafluoro-4-methylpentyl)oxirane
CID 18318782
2-(2,2,3,3,4,4,5,6,6,6-Decafluoro-5-methylhexyl)oxirane
CID 18702670
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Octadecafluoro-9-methyldecyl)oxirane
CID 18702684
2-(2,2,3,3,4,4,5,5,6,7,7,7-Dodecafluoro-6-methylheptyl)oxirane
CID 18702688

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane?
The IUPAC name of 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane (CID 2776200) is 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane.
What is the SMILES notation for 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane?
The canonical SMILES for 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane?
The InChIKey is BKXKCZGEIQKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c9-4(10,1-3-2-20-3)6(12,13)5(11,7(14,15)16)8(17,18)19/h3H,1-2H2.
What are the key properties of 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane?
2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane has a molecular weight of 326.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,3,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentyl]oxirane is sourced from PubChem (CID 2776200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).