(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite

C2F5NO3 — CID 23233313

IUPAC(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite
SMILESO=[N+]([O-])C(F)(F)C(F)(F)OF
InChIInChI=1S/C2F5NO3/c3-1(4,8(9)10)2(5,6)11-7
InChIKeyHEODBTJMWYMALO-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.35
Rot. Bonds3

About (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite

(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite (PubChem CID 23233313) has the molecular formula C2F5NO3 and a molecular weight of 181.02 g/mol. Its IUPAC name is (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite.

Molecular Properties

Compound Name(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite
PubChem CID23233313
Molecular FormulaC2F5NO3
Molecular Weight181.02 g/mol
Exact Mass180.98
IUPAC Name(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite
SMILESO=[N+]([O-])C(F)(F)C(F)(F)OF
InChIInChI=1S/C2F5NO3/c3-1(4,8(9)10)2(5,6)11-7
InChIKeyHEODBTJMWYMALO-UHFFFAOYSA-N
XLogP1.35
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

Perfluoronitroethane
CID 10149025
Tetrafluoro-2-nitroethyl nitrite
CID 129670106
2-Nitrosotetrafluoroethyl nitrite
CID 129811225
Tetrafluoronitrosoethyl nitrate
CID 129813985
Tetrafluoro-2-nitroethanol
CID 129814147

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite?
The IUPAC name of (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite (CID 23233313) is (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite.
What is the SMILES notation for (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite?
The canonical SMILES for (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite is O=[N+]([O-])C(F)(F)C(F)(F)OF.
What is the InChIKey of (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite?
The InChIKey is HEODBTJMWYMALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5NO3/c3-1(4,8(9)10)2(5,6)11-7.
What are the key properties of (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite?
(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite has a molecular weight of 181.02 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite is sourced from PubChem (CID 23233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).