1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane

C7H11F5O3 — CID 141129649

IUPAC1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane
SMILESCOCCOCOC(F)(CF)C(F)(F)F
InChIInChI=1S/C7H11F5O3/c1-13-2-3-14-5-15-6(9,4-8)7(10,11)12/h2-5H2,1H3
InChIKeyPVWRXDOYSJNLBJ-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.82
Rot. Bonds7

About 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane

1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane (PubChem CID 141129649) has the molecular formula C7H11F5O3 and a molecular weight of 238.15 g/mol. Its IUPAC name is 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane
PubChem CID141129649
Molecular FormulaC7H11F5O3
Molecular Weight238.15 g/mol
Exact Mass238.06
IUPAC Name1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane
SMILESCOCCOCOC(F)(CF)C(F)(F)F
InChIInChI=1S/C7H11F5O3/c1-13-2-3-14-5-15-6(9,4-8)7(10,11)12/h2-5H2,1H3
InChIKeyPVWRXDOYSJNLBJ-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane?
The IUPAC name of 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane (CID 141129649) is 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane.
What is the SMILES notation for 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane?
The canonical SMILES for 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane is COCCOCOC(F)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane?
The InChIKey is PVWRXDOYSJNLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O3/c1-13-2-3-14-5-15-6(9,4-8)7(10,11)12/h2-5H2,1H3.
What are the key properties of 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane?
1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane has a molecular weight of 238.15 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3-pentafluoro-2-(2-methoxyethoxymethoxy)propane is sourced from PubChem (CID 141129649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).