1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane

C7H10F6O2 — CID 19981076

IUPAC1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)OCC
InChIInChI=1S/C7H10F6O2/c1-3-14-6(10,11)5(8,9)7(12,13)15-4-2/h3-4H2,1-2H3
InChIKeyUXJZRQPTLLRCJK-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.88
Rot. Bonds6

About 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane

1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane (PubChem CID 19981076) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane.

Molecular Properties

Compound Name1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane
PubChem CID19981076
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)OCC
InChIInChI=1S/C7H10F6O2/c1-3-14-6(10,11)5(8,9)7(12,13)15-4-2/h3-4H2,1-2H3
InChIKeyUXJZRQPTLLRCJK-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
Bis(3,3,3-trifluoropropyl)ether
CID 136479
1,1,2,3,3-Pentafluoro-1,3-dimethoxypropane
CID 13319074
1,2,2-Trifluoro-1-(1,2,2-trifluoropropoxy)propane
CID 57242034
1-(2-Ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane
CID 139683264
Heptafluoroisopropoxypropyl ether
CID 129699842
(1S)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane
CID 10943740
(1R)-1,2,2-trifluoro-1-[(1R)-1,2,2-trifluoropropoxy]propane
CID 23236607
7H-Perfluoro-2,6-dioxaoctane
CID 155982319
1-Ethoxy-1,1,2,2,3,3,3-heptafluoropropane
CID 11586547

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane?
The IUPAC name of 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane (CID 19981076) is 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane.
What is the SMILES notation for 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane?
The canonical SMILES for 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane is CCOC(F)(F)C(F)(F)C(F)(F)OCC.
What is the InChIKey of 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane?
The InChIKey is UXJZRQPTLLRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-3-14-6(10,11)5(8,9)7(12,13)15-4-2/h3-4H2,1-2H3.
What are the key properties of 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane?
1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane has a molecular weight of 240.14 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-1,1,2,2,3,3-hexafluoropropane is sourced from PubChem (CID 19981076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).