6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde

C14H15F3N2O — CID 169002396

IUPAC6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde
SMILESO=CN1CC2(CCC(c3cccc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-3-1-2-11(18-12)10-4-5-13(6-10)7-19(8-13)9-20/h1-3,9-10H,4-8H2
InChIKeyZCPXYUCHETUPCG-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.83
Rot. Bonds2

About 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde

6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde (PubChem CID 169002396) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde
PubChem CID169002396
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde
SMILESO=CN1CC2(CCC(c3cccc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-3-1-2-11(18-12)10-4-5-13(6-10)7-19(8-13)9-20/h1-3,9-10H,4-8H2
InChIKeyZCPXYUCHETUPCG-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The IUPAC name of 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde (CID 169002396) is 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde.
What is the SMILES notation for 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The canonical SMILES for 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde is O=CN1CC2(CCC(c3cccc(C(F)(F)F)n3)C2)C1.
What is the InChIKey of 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The InChIKey is ZCPXYUCHETUPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)12-3-1-2-11(18-12)10-4-5-13(6-10)7-19(8-13)9-20/h1-3,9-10H,4-8H2.
What are the key properties of 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde?
6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde has a molecular weight of 284.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde is sourced from PubChem (CID 169002396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).