1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)

C8H12F4O2Rf5-2 — CID 58017926

IUPAC1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)
SMILESCCC(F)(F)[CH-]OCO[CH-]C(C)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C8H12F4O2.5Rf/c1-3-8(11,12)5-14-6-13-4-7(2,9)10;;;;;/h4-5H,3,6H2,1-2H3;;;;;/q-2;;;;;
InChIKeyOSZFXESWSVZDBA-UHFFFAOYSA-N
MW1551.17 g/mol
LogP3.00
Rot. Bonds7

About 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)

1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium) (PubChem CID 58017926) has the molecular formula C8H12F4O2Rf5-2 and a molecular weight of 1551.17 g/mol. Its IUPAC name is 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium).

Molecular Properties

Compound Name1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)
PubChem CID58017926
Molecular FormulaC8H12F4O2Rf5-2
Molecular Weight1551.17 g/mol
Exact Mass1551.69
IUPAC Name1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)
SMILESCCC(F)(F)[CH-]OCO[CH-]C(C)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C8H12F4O2.5Rf/c1-3-8(11,12)5-14-6-13-4-7(2,9)10;;;;;/h4-5H,3,6H2,1-2H3;;;;;/q-2;;;;;
InChIKeyOSZFXESWSVZDBA-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001551.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)?
The IUPAC name of 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium) (CID 58017926) is 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium).
What is the SMILES notation for 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)?
The canonical SMILES for 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium) is CCC(F)(F)[CH-]OCO[CH-]C(C)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)?
The InChIKey is OSZFXESWSVZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2.5Rf/c1-3-8(11,12)5-14-6-13-4-7(2,9)10;;;;;/h4-5H,3,6H2,1-2H3;;;;;/q-2;;;;;.
What are the key properties of 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium)?
1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium) has a molecular weight of 1551.17 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropoxymethoxy)-2,2-difluorobutane;pentakis(rutherfordium) is sourced from PubChem (CID 58017926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).