1,1,1,2,2-pentafluoro-2-nitroethane

C2F5NO2 — CID 10149025

IUPAC1,1,1,2,2-pentafluoro-2-nitroethane
SMILESO=[N+]([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C2F5NO2/c3-1(4,5)2(6,7)8(9)10
InChIKeyNYAZEAIBIYGMKL-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.42
Rot. Bonds1

About 1,1,1,2,2-pentafluoro-2-nitroethane

1,1,1,2,2-pentafluoro-2-nitroethane (PubChem CID 10149025) has the molecular formula C2F5NO2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-nitroethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-nitroethane
PubChem CID10149025
Molecular FormulaC2F5NO2
Molecular Weight165.02 g/mol
Exact Mass164.98
IUPAC Name1,1,1,2,2-pentafluoro-2-nitroethane
SMILESO=[N+]([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C2F5NO2/c3-1(4,5)2(6,7)8(9)10
InChIKeyNYAZEAIBIYGMKL-UHFFFAOYSA-N
XLogP1.42
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-nitroethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-nitroethane (CID 10149025) is 1,1,1,2,2-pentafluoro-2-nitroethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-nitroethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-nitroethane is O=[N+]([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-nitroethane?
The InChIKey is NYAZEAIBIYGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5NO2/c3-1(4,5)2(6,7)8(9)10.
What are the key properties of 1,1,1,2,2-pentafluoro-2-nitroethane?
1,1,1,2,2-pentafluoro-2-nitroethane has a molecular weight of 165.02 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-nitroethane is sourced from PubChem (CID 10149025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).