1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane

C5F9NO — CID 13383161

IUPAC1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
SMILESO=NC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F9NO/c6-1(7)2(8,9)4(12,13)5(14,15-16)3(1,10)11
InChIKeyAWDVPLYXQHERRY-UHFFFAOYSA-N
MW261.04 g/mol
LogP2.97
Rot. Bonds1

About 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane

1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane (PubChem CID 13383161) has the molecular formula C5F9NO and a molecular weight of 261.04 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
PubChem CID13383161
Molecular FormulaC5F9NO
Molecular Weight261.04 g/mol
Exact Mass260.98
IUPAC Name1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
SMILESO=NC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F9NO/c6-1(7)2(8,9)4(12,13)5(14,15-16)3(1,10)11
InChIKeyAWDVPLYXQHERRY-UHFFFAOYSA-N
XLogP2.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.04
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane (CID 13383161) is 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane is O=NC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane?
The InChIKey is AWDVPLYXQHERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F9NO/c6-1(7)2(8,9)4(12,13)5(14,15-16)3(1,10)11.
What are the key properties of 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane?
1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane has a molecular weight of 261.04 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane is sourced from PubChem (CID 13383161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).