1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium

C13H24F5O7Rf- — CID 154623563

IUPAC1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium
SMILESOC(COCCF)COC[C-](F)F.OCCC(O)COCC(O)(F)F.[Rf]
InChIInChI=1S/C7H12F3O3.C6H12F2O4.Rf/c8-1-2-12-3-6(11)4-13-5-7(9)10;7-6(8,11)4-12-3-5(10)1-2-9;/h6,11H,1-5H2;5,9-11H,1-4H2;/q-1;;
InChIKeyDFQYAPUUPPQLMI-UHFFFAOYSA-N
MW654.32 g/mol
LogP0.11
Rot. Bonds14

About 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium

1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium (PubChem CID 154623563) has the molecular formula C13H24F5O7Rf- and a molecular weight of 654.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium
PubChem CID154623563
Molecular FormulaC13H24F5O7Rf-
Molecular Weight654.32 g/mol
Exact Mass654.27
IUPAC Name1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium
SMILESOC(COCCF)COC[C-](F)F.OCCC(O)COCC(O)(F)F.[Rf]
InChIInChI=1S/C7H12F3O3.C6H12F2O4.Rf/c8-1-2-12-3-6(11)4-13-5-7(9)10;7-6(8,11)4-12-3-5(10)1-2-9;/h6,11H,1-5H2;5,9-11H,1-4H2;/q-1;;
InChIKeyDFQYAPUUPPQLMI-UHFFFAOYSA-N
XLogP0.11
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.32
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium (CID 154623563) is 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium is OC(COCCF)COC[C-](F)F.OCCC(O)COCC(O)(F)F.[Rf].
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium?
The InChIKey is DFQYAPUUPPQLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O3.C6H12F2O4.Rf/c8-1-2-12-3-6(11)4-13-5-7(9)10;7-6(8,11)4-12-3-5(10)1-2-9;/h6,11H,1-5H2;5,9-11H,1-4H2;/q-1;;.
What are the key properties of 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium?
1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium has a molecular weight of 654.32 g/mol, XLogP of 0.11, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol;4-(2,2-difluoro-2-hydroxyethoxy)butane-1,3-diol;rutherfordium is sourced from PubChem (CID 154623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).