3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane

C12H20F4O2 — CID 11778000

IUPAC3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
SMILESCCOCCC(F)(F)C(F)(F)CC1COCC1C
InChIInChI=1S/C12H20F4O2/c1-3-17-5-4-11(13,14)12(15,16)6-10-8-18-7-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyVBOAQXGTPQYXJX-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.36
Rot. Bonds7

About 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane

3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane (PubChem CID 11778000) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane.

Molecular Properties

Compound Name3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
PubChem CID11778000
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
SMILESCCOCCC(F)(F)C(F)(F)CC1COCC1C
InChIInChI=1S/C12H20F4O2/c1-3-17-5-4-11(13,14)12(15,16)6-10-8-18-7-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyVBOAQXGTPQYXJX-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane
CID 2775160
3-(Iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 11124432
Octofluorotetra-hydrofuran
CID 169488922
3-Methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 10424752
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168
9-[(1,1,2,2-Tetrafluoroethoxy)methyl]nonadecane
CID 54339885
1-Ethyl-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]cyclopentane
CID 58813222

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane?
The IUPAC name of 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane (CID 11778000) is 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane.
What is the SMILES notation for 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane?
The canonical SMILES for 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane is CCOCCC(F)(F)C(F)(F)CC1COCC1C.
What is the InChIKey of 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane?
The InChIKey is VBOAQXGTPQYXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4O2/c1-3-17-5-4-11(13,14)12(15,16)6-10-8-18-7-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane?
3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane has a molecular weight of 272.28 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane is sourced from PubChem (CID 11778000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).