1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane

C4H6F5OP — CID 87128112

IUPAC1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCP(C)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5OP/c1-11(2,10)4(8,9)3(5,6)7/h1-2H3
InChIKeyXFBZPYFOXTYDTC-UHFFFAOYSA-N
MW196.06 g/mol
LogP2.76
Rot. Bonds1

About 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane

1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane (PubChem CID 87128112) has the molecular formula C4H6F5OP and a molecular weight of 196.06 g/mol. Its IUPAC name is 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane
PubChem CID87128112
Molecular FormulaC4H6F5OP
Molecular Weight196.06 g/mol
Exact Mass196.01
IUPAC Name1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane
SMILESCP(C)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5OP/c1-11(2,10)4(8,9)3(5,6)7/h1-2H3
InChIKeyXFBZPYFOXTYDTC-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane (CID 87128112) is 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane is CP(C)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane?
The InChIKey is XFBZPYFOXTYDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5OP/c1-11(2,10)4(8,9)3(5,6)7/h1-2H3.
What are the key properties of 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane?
1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane has a molecular weight of 196.06 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 87128112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).