1-deuterio-1,1,2,2,2-pentafluoroethane

C2HF5 — CID 59129850

IUPAC1-deuterio-1,1,2,2,2-pentafluoroethane
SMILES[2H]C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H/i1D
InChIKeyGTLACDSXYULKMZ-MICDWDOJSA-N
MW121.03 g/mol
LogP1.81
Rot. Bonds

About 1-deuterio-1,1,2,2,2-pentafluoroethane

1-deuterio-1,1,2,2,2-pentafluoroethane (PubChem CID 59129850) has the molecular formula C2HF5 and a molecular weight of 121.03 g/mol. Its IUPAC name is 1-deuterio-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-deuterio-1,1,2,2,2-pentafluoroethane
PubChem CID59129850
Molecular FormulaC2HF5
Molecular Weight121.03 g/mol
Exact Mass121.01
IUPAC Name1-deuterio-1,1,2,2,2-pentafluoroethane
SMILES[2H]C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H/i1D
InChIKeyGTLACDSXYULKMZ-MICDWDOJSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.03
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-deuterio-1,1,2,2,2-pentafluoroethane (CID 59129850) is 1-deuterio-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-deuterio-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-deuterio-1,1,2,2,2-pentafluoroethane is [2H]C(F)(F)C(F)(F)F.
What is the InChIKey of 1-deuterio-1,1,2,2,2-pentafluoroethane?
The InChIKey is GTLACDSXYULKMZ-MICDWDOJSA-N. The full InChI is InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H/i1D.
What are the key properties of 1-deuterio-1,1,2,2,2-pentafluoroethane?
1-deuterio-1,1,2,2,2-pentafluoroethane has a molecular weight of 121.03 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 59129850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).