5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane

C12H20F4O2 — CID 59010327

IUPAC5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCCOC1(CC)CC(C)C(F)(C(C)C(F)(F)F)O1
InChIInChI=1S/C12H20F4O2/c1-5-10(17-6-2)7-8(3)11(13,18-10)9(4)12(14,15)16/h8-9H,5-7H2,1-4H3
InChIKeyPBHLRGNVZGLNKG-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.05
Rot. Bonds4

About 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane

5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane (PubChem CID 59010327) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane.

Molecular Properties

Compound Name5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
PubChem CID59010327
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCCOC1(CC)CC(C)C(F)(C(C)C(F)(F)F)O1
InChIInChI=1S/C12H20F4O2/c1-5-10(17-6-2)7-8(3)11(13,18-10)9(4)12(14,15)16/h8-9H,5-7H2,1-4H3
InChIKeyPBHLRGNVZGLNKG-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethoxy-3,3,4,4,5-pentafluoro-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]tetrahydrofuran
CID 44224734
(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 90239071
(6R,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
CID 90239969
2-(2-Butyl-3,3,4,4,5,5,6,6,6-nonafluorohexoxy)oxolane
CID 18927678
2-Ethoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010318
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
CID 59010321
5-Fluoro-2,4-dimethyl-2-propoxy-3-(trifluoromethyl)oxolane
CID 59010339
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,5-dimethyloxolane
CID 59010348
2-Butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010356
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,5-dimethyl-2-propoxyoxolane
CID 59010358
3,3,4,4-Tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propoxyoxolane
CID 87653387
3,3,4,4-Tetrafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
CID 87655646

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane?
The IUPAC name of 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane (CID 59010327) is 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane.
What is the SMILES notation for 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane?
The canonical SMILES for 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane is CCOC1(CC)CC(C)C(F)(C(C)C(F)(F)F)O1.
What is the InChIKey of 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane?
The InChIKey is PBHLRGNVZGLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4O2/c1-5-10(17-6-2)7-8(3)11(13,18-10)9(4)12(14,15)16/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane?
5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane has a molecular weight of 272.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane is sourced from PubChem (CID 59010327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).