3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane

C10H18F4O3 — CID 55248600

IUPAC3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
SMILESCCOC(CCOCC(F)(F)C(F)F)OCC
InChIInChI=1S/C10H18F4O3/c1-3-16-8(17-4-2)5-6-15-7-10(13,14)9(11)12/h8-9H,3-7H2,1-2H3
InChIKeyQLBDYCRPEOYSOX-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.69
Rot. Bonds10

About 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane

3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane (PubChem CID 55248600) has the molecular formula C10H18F4O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
PubChem CID55248600
Molecular FormulaC10H18F4O3
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
SMILESCCOC(CCOCC(F)(F)C(F)F)OCC
InChIInChI=1S/C10H18F4O3/c1-3-16-8(17-4-2)5-6-15-7-10(13,14)9(11)12/h8-9H,3-7H2,1-2H3
InChIKeyQLBDYCRPEOYSOX-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane (CID 55248600) is 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane is CCOC(CCOCC(F)(F)C(F)F)OCC.
What is the InChIKey of 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane?
The InChIKey is QLBDYCRPEOYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O3/c1-3-16-8(17-4-2)5-6-15-7-10(13,14)9(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane?
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane has a molecular weight of 262.24 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 55248600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).