7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane

C12H13F3N2O2 — CID 100689131

IUPAC7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)c1ccc(N2CCC3(C2)OCCO3)nc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-4-3-11(8-17)18-5-6-19-11/h1-2,7H,3-6,8H2
InChIKeyZKNLDZSOKSPGFT-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.05
Rot. Bonds1

About 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 100689131) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID100689131
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)c1ccc(N2CCC3(C2)OCCO3)nc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-4-3-11(8-17)18-5-6-19-11/h1-2,7H,3-6,8H2
InChIKeyZKNLDZSOKSPGFT-UHFFFAOYSA-N
XLogP2.05
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 100689131) is 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane is FC(F)(F)c1ccc(N2CCC3(C2)OCCO3)nc1.
What is the InChIKey of 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ZKNLDZSOKSPGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-4-3-11(8-17)18-5-6-19-11/h1-2,7H,3-6,8H2.
What are the key properties of 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 274.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 100689131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).