1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C8H12F3N3O2 — CID 154662953

IUPAC1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=NN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-12-7(15)6-1-3-14(13-16)4-2-6/h6H,1-5H2,(H,12,15)
InChIKeyIDXXWKMPSVSYAY-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.06
Rot. Bonds3

About 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 154662953) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID154662953
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=NN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-12-7(15)6-1-3-14(13-16)4-2-6/h6H,1-5H2,(H,12,15)
InChIKeyIDXXWKMPSVSYAY-UHFFFAOYSA-N
XLogP1.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 154662953) is 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=NN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is IDXXWKMPSVSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)5-12-7(15)6-1-3-14(13-16)4-2-6/h6H,1-5H2,(H,12,15).
What are the key properties of 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 154662953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).