1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium

C3Cl2F5ORf- — CID 58623349

IUPAC1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium
SMILESF[C-](F)OC(F)(Cl)C(F)(F)Cl.[Rf]
InChIInChI=1S/C3Cl2F5O.Rf/c4-2(8,9)3(5,10)11-1(6)7;/q-1;
InChIKeyUEHNKXVRAGPZMG-UHFFFAOYSA-N
MW484.93 g/mol
LogP3.08
Rot. Bonds3

About 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium

1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium (PubChem CID 58623349) has the molecular formula C3Cl2F5ORf- and a molecular weight of 484.93 g/mol. Its IUPAC name is 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium.

Molecular Properties

Compound Name1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium
PubChem CID58623349
Molecular FormulaC3Cl2F5ORf-
Molecular Weight484.93 g/mol
Exact Mass484.05
IUPAC Name1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium
SMILESF[C-](F)OC(F)(Cl)C(F)(F)Cl.[Rf]
InChIInChI=1S/C3Cl2F5O.Rf/c4-2(8,9)3(5,10)11-1(6)7;/q-1;
InChIKeyUEHNKXVRAGPZMG-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.93
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium?
The IUPAC name of 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium (CID 58623349) is 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium.
What is the SMILES notation for 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium?
The canonical SMILES for 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium is F[C-](F)OC(F)(Cl)C(F)(F)Cl.[Rf].
What is the InChIKey of 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium?
The InChIKey is UEHNKXVRAGPZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F5O.Rf/c4-2(8,9)3(5,10)11-1(6)7;/q-1;.
What are the key properties of 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium?
1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium has a molecular weight of 484.93 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-(difluoromethoxy)-1,2,2-trifluoroethane;rutherfordium is sourced from PubChem (CID 58623349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).