1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane

C6H8F4O2 — CID 123510393

IUPAC1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane
SMILESC=C(OCC(F)(F)F)OC(C)F
InChIInChI=1S/C6H8F4O2/c1-4(7)12-5(2)11-3-6(8,9)10/h4H,2-3H2,1H3
InChIKeyLKXMOUSVJDXDNS-UHFFFAOYSA-N
MW188.12 g/mol
LogP2.37
Rot. Bonds4

About 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane

1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane (PubChem CID 123510393) has the molecular formula C6H8F4O2 and a molecular weight of 188.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane
PubChem CID123510393
Molecular FormulaC6H8F4O2
Molecular Weight188.12 g/mol
Exact Mass188.05
IUPAC Name1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane
SMILESC=C(OCC(F)(F)F)OC(C)F
InChIInChI=1S/C6H8F4O2/c1-4(7)12-5(2)11-3-6(8,9)10/h4H,2-3H2,1H3
InChIKeyLKXMOUSVJDXDNS-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane 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-(1-fluoroethoxy)ethenoxy]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane (CID 123510393) is 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane is C=C(OCC(F)(F)F)OC(C)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane?
The InChIKey is LKXMOUSVJDXDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O2/c1-4(7)12-5(2)11-3-6(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane?
1,1,1-trifluoro-2-[1-(1-fluoroethoxy)ethenoxy]ethane has a molecular weight of 188.12 g/mol, XLogP of 2.37, 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-(1-fluoroethoxy)ethenoxy]ethane is sourced from PubChem (CID 123510393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).