1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

C9H11F7O3 — CID 22897551

IUPAC1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(COCCOC)C(F)(F)F
InChIInChI=1S/C9H11F7O3/c1-6(10)8(12,13)19-7(11,9(14,15)16)5-18-4-3-17-2/h1,3-5H2,2H3
InChIKeyUDQPTYLJDCMGKY-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.97
Rot. Bonds8

About 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 22897551) has the molecular formula C9H11F7O3 and a molecular weight of 300.17 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID22897551
Molecular FormulaC9H11F7O3
Molecular Weight300.17 g/mol
Exact Mass300.06
IUPAC Name1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(COCCOC)C(F)(F)F
InChIInChI=1S/C9H11F7O3/c1-6(10)8(12,13)19-7(11,9(14,15)16)5-18-4-3-17-2/h1,3-5H2,2H3
InChIKeyUDQPTYLJDCMGKY-UHFFFAOYSA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 22897551) is 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(COCCOC)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is UDQPTYLJDCMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O3/c1-6(10)8(12,13)19-7(11,9(14,15)16)5-18-4-3-17-2/h1,3-5H2,2H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 300.17 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 22897551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).