1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane

C4H4Cl2F4O — CID 20579838

IUPAC1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane
SMILESCC(F)(F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C4H4Cl2F4O/c1-3(7,8)4(9,10)11-2(5)6/h2H,1H3
InChIKeyBBHVBQRDUSULON-UHFFFAOYSA-N
MW214.97 g/mol
LogP3.01
Rot. Bonds3

About 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane

1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane (PubChem CID 20579838) has the molecular formula C4H4Cl2F4O and a molecular weight of 214.97 g/mol. Its IUPAC name is 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane
PubChem CID20579838
Molecular FormulaC4H4Cl2F4O
Molecular Weight214.97 g/mol
Exact Mass213.96
IUPAC Name1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane
SMILESCC(F)(F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C4H4Cl2F4O/c1-3(7,8)4(9,10)11-2(5)6/h2H,1H3
InChIKeyBBHVBQRDUSULON-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.97
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane 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-(dichloromethoxy)-1,1,2,2-tetrafluoropropane?
The IUPAC name of 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane (CID 20579838) is 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane is CC(F)(F)C(F)(F)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane?
The InChIKey is BBHVBQRDUSULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2F4O/c1-3(7,8)4(9,10)11-2(5)6/h2H,1H3.
What are the key properties of 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane?
1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane has a molecular weight of 214.97 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 20579838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).