1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane

C4H2Cl2F6O — CID 2778843

IUPAC1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H
InChIKeyGZJFDMGJHHVNAC-UHFFFAOYSA-N
MW250.95 g/mol
LogP3.26
Rot. Bonds3

About 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane

1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane (PubChem CID 2778843) has the molecular formula C4H2Cl2F6O and a molecular weight of 250.95 g/mol. Its IUPAC name is 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
PubChem CID2778843
Molecular FormulaC4H2Cl2F6O
Molecular Weight250.95 g/mol
Exact Mass249.94
IUPAC Name1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H
InChIKeyGZJFDMGJHHVNAC-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.95
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane 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)-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane (CID 2778843) is 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane is FC(C(F)(F)F)C(F)(F)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is GZJFDMGJHHVNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H.
What are the key properties of 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane?
1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 250.95 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 2778843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).