1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane

C6H7F7O2 — CID 20812357

IUPAC1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane
SMILESCC(OCOC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-3(5(8,9)10)14-2-15-4(7)6(11,12)13/h3-4H,2H2,1H3
InChIKeyIVMNDRZHABMTBB-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.79
Rot. Bonds4

About 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane

1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane (PubChem CID 20812357) has the molecular formula C6H7F7O2 and a molecular weight of 244.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane
PubChem CID20812357
Molecular FormulaC6H7F7O2
Molecular Weight244.11 g/mol
Exact Mass244.03
IUPAC Name1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane
SMILESCC(OCOC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-3(5(8,9)10)14-2-15-4(7)6(11,12)13/h3-4H,2H2,1H3
InChIKeyIVMNDRZHABMTBB-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)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-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane?
The IUPAC name of 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane (CID 20812357) is 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane is CC(OCOC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane?
The InChIKey is IVMNDRZHABMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2/c1-3(5(8,9)10)14-2-15-4(7)6(11,12)13/h3-4H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane?
1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane has a molecular weight of 244.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)propane is sourced from PubChem (CID 20812357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).