4-ethyl-2,2,3,3,4,6,6-heptafluorooxane

C7H7F7O — CID 58488798

IUPAC4-ethyl-2,2,3,3,4,6,6-heptafluorooxane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12/h2-3H2,1H3
InChIKeyIUIDDBXJUZDRRT-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.35
Rot. Bonds1

About 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane

4-ethyl-2,2,3,3,4,6,6-heptafluorooxane (PubChem CID 58488798) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane.

Molecular Properties

Compound Name4-ethyl-2,2,3,3,4,6,6-heptafluorooxane
PubChem CID58488798
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name4-ethyl-2,2,3,3,4,6,6-heptafluorooxane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12/h2-3H2,1H3
InChIKeyIUIDDBXJUZDRRT-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

2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane
CID 58488795
3-Ethyl-2,2,3,5,5-pentafluorooxolane
CID 58488799
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
CID 58488800
2,2,3,3,5-Pentafluoro-4-(fluoromethyl)oxane
CID 58957487
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89214814
3-(Difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
CID 89360189
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
CID 123547268
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane
CID 123668336
1,1,2,2,3,4,5,5,5-Nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane
CID 154638118
2,2,3,3,4,5,5,6,6-Nonafluoro-4-(fluoromethyl)oxane
CID 156678057
2,2,3,3,5,5,6,6-Octafluoro-4-methyloxane
CID 174178727

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane?
The IUPAC name of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane (CID 58488798) is 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane.
What is the SMILES notation for 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane?
The canonical SMILES for 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane is CCC1(F)CC(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane?
The InChIKey is IUIDDBXJUZDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12/h2-3H2,1H3.
What are the key properties of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane?
4-ethyl-2,2,3,3,4,6,6-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 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane is sourced from PubChem (CID 58488798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).