1,1-bis(fluoromethoxy)ethane

C4H8F2O2 — CID 57255170

IUPAC1,1-bis(fluoromethoxy)ethane
SMILESCC(OCF)OCF
InChIInChI=1S/C4H8F2O2/c1-4(7-2-5)8-3-6/h4H,2-3H2,1H3
InChIKeyISILREZLMGCNBF-UHFFFAOYSA-N
MW126.10 g/mol
LogP1.22
Rot. Bonds4

About 1,1-bis(fluoromethoxy)ethane

1,1-bis(fluoromethoxy)ethane (PubChem CID 57255170) has the molecular formula C4H8F2O2 and a molecular weight of 126.10 g/mol. Its IUPAC name is 1,1-bis(fluoromethoxy)ethane.

Molecular Properties

Compound Name1,1-bis(fluoromethoxy)ethane
PubChem CID57255170
Molecular FormulaC4H8F2O2
Molecular Weight126.10 g/mol
Exact Mass126.05
IUPAC Name1,1-bis(fluoromethoxy)ethane
SMILESCC(OCF)OCF
InChIInChI=1S/C4H8F2O2/c1-4(7-2-5)8-3-6/h4H,2-3H2,1H3
InChIKeyISILREZLMGCNBF-UHFFFAOYSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 51.22
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-bis(fluoromethoxy)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-bis(fluoromethoxy)ethane?
The IUPAC name of 1,1-bis(fluoromethoxy)ethane (CID 57255170) is 1,1-bis(fluoromethoxy)ethane.
What is the SMILES notation for 1,1-bis(fluoromethoxy)ethane?
The canonical SMILES for 1,1-bis(fluoromethoxy)ethane is CC(OCF)OCF.
What is the InChIKey of 1,1-bis(fluoromethoxy)ethane?
The InChIKey is ISILREZLMGCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O2/c1-4(7-2-5)8-3-6/h4H,2-3H2,1H3.
What are the key properties of 1,1-bis(fluoromethoxy)ethane?
1,1-bis(fluoromethoxy)ethane has a molecular weight of 126.10 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(fluoromethoxy)ethane is sourced from PubChem (CID 57255170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).