1-(1,1,2,2-tetrafluoroethoxy)propane

C5H8F4O — CID 22005454

IUPAC1-(1,1,2,2-tetrafluoroethoxy)propane
SMILESCCCOC(F)(F)C(F)F
InChIInChI=1S/C5H8F4O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyDEYAWNMYIUDQER-UHFFFAOYSA-N
MW160.11 g/mol
LogP2.27
Rot. Bonds4

About 1-(1,1,2,2-tetrafluoroethoxy)propane

1-(1,1,2,2-tetrafluoroethoxy)propane (PubChem CID 22005454) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethoxy)propane.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethoxy)propane
PubChem CID22005454
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name1-(1,1,2,2-tetrafluoroethoxy)propane
SMILESCCCOC(F)(F)C(F)F
InChIInChI=1S/C5H8F4O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyDEYAWNMYIUDQER-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1,1,2,2-tetrafluoroethoxy)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-(1,1,2,2-tetrafluoroethoxy)propane?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)propane (CID 22005454) is 1-(1,1,2,2-tetrafluoroethoxy)propane.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethoxy)propane?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethoxy)propane is CCCOC(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethoxy)propane?
The InChIKey is DEYAWNMYIUDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoroethoxy)propane?
1-(1,1,2,2-tetrafluoroethoxy)propane has a molecular weight of 160.11 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethoxy)propane is sourced from PubChem (CID 22005454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).