2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane

C6H8F6O2 — CID 19707458

IUPAC2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane
SMILESCCOC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyMINUTMCKLSWYJU-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.49
Rot. Bonds3

About 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane

2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane (PubChem CID 19707458) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane
PubChem CID19707458
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane
SMILESCCOC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyMINUTMCKLSWYJU-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 262530
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
1,1,1-Trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 87694334
Pentafluoromethoxyisopropyl fluoro-methyl ether
CID 87847383
1,1,1-Triethoxy-3,3,3-trifluoropropane
CID 61801284
1-(2,2,3,3-Tetrafluoropropoxy)ethyl 2,2,3,3-tetrafluoropropyl ether
CID 12929800
Pentafluorodimethoxypropane
CID 129809148
1,1,1,3,3,3-Hexafluoro-2,2-bis(2,2,3,3,3-pentafluoropropoxy)propane
CID 10026653
1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 10943786
1,1,1,2,2-Pentafluoro-3-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]propane
CID 13628739
3,3-Diethoxy-1,1,1-trifluoropropane
CID 14338621

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane?
The IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane (CID 19707458) is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane.
What is the SMILES notation for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane?
The canonical SMILES for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane is CCOC(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane?
The InChIKey is MINUTMCKLSWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h3H2,1-2H3.
What are the key properties of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane?
2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane has a molecular weight of 226.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-methoxypropane is sourced from PubChem (CID 19707458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).