3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene

C6H8F4O2 — CID 54110883

IUPAC3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene
SMILESC=CCOC(F)(F)C(F)(F)OC
InChIInChI=1S/C6H8F4O2/c1-3-4-12-6(9,10)5(7,8)11-2/h3H,1,4H2,2H3
InChIKeyAFLHLGSOIOJYKA-UHFFFAOYSA-N
MW188.12 g/mol
LogP2.02
Rot. Bonds5

About 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene

3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene (PubChem CID 54110883) has the molecular formula C6H8F4O2 and a molecular weight of 188.12 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene
PubChem CID54110883
Molecular FormulaC6H8F4O2
Molecular Weight188.12 g/mol
Exact Mass188.05
IUPAC Name3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene
SMILESC=CCOC(F)(F)C(F)(F)OC
InChIInChI=1S/C6H8F4O2/c1-3-4-12-6(9,10)5(7,8)11-2/h3H,1,4H2,2H3
InChIKeyAFLHLGSOIOJYKA-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene 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 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene?
The IUPAC name of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene (CID 54110883) is 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene?
The canonical SMILES for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene is C=CCOC(F)(F)C(F)(F)OC.
What is the InChIKey of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene?
The InChIKey is AFLHLGSOIOJYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O2/c1-3-4-12-6(9,10)5(7,8)11-2/h3H,1,4H2,2H3.
What are the key properties of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene?
3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene has a molecular weight of 188.12 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-1-ene is sourced from PubChem (CID 54110883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).