3-ethyl-2,2,3,5,5,6,6-heptafluorooxane

C7H7F7O — CID 58488795

IUPAC3-ethyl-2,2,3,5,5,6,6-heptafluorooxane
SMILESCCC1(F)CC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12/h2-3H2,1H3
InChIKeySLYRAXGZALWRAN-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.35
Rot. Bonds1

About 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane

3-ethyl-2,2,3,5,5,6,6-heptafluorooxane (PubChem CID 58488795) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane.

Molecular Properties

Compound Name3-ethyl-2,2,3,5,5,6,6-heptafluorooxane
PubChem CID58488795
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name3-ethyl-2,2,3,5,5,6,6-heptafluorooxane
SMILESCCC1(F)CC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12/h2-3H2,1H3
InChIKeySLYRAXGZALWRAN-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,6,6-Nonafluoro-5-(1,1,2,2,2-pentafluoroethyl)oxane
CID 23236431
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
3-(1,1-Difluoroethyl)-3-fluorooxane
CID 58078346
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152
3-(1,1-Difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
CID 58488788
6-(1,1-Difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
CID 58488790
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane?
The IUPAC name of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane (CID 58488795) is 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane.
What is the SMILES notation for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane?
The canonical SMILES for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane is CCC1(F)CC(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane?
The InChIKey is SLYRAXGZALWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12/h2-3H2,1H3.
What are the key properties of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane?
3-ethyl-2,2,3,5,5,6,6-heptafluorooxane has a molecular weight of 240.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane is sourced from PubChem (CID 58488795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).