6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane

C11H11F3N2O — CID 171326415

IUPAC6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccnc(N2CC3(COC3)C2)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-16)6-17-7-10/h1-3H,4-7H2
InChIKeyLOUAKJHDCUFXTM-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.94
Rot. Bonds1

About 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane

6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 171326415) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID171326415
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESFC(F)(F)c1ccnc(N2CC3(COC3)C2)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-16)6-17-7-10/h1-3H,4-7H2
InChIKeyLOUAKJHDCUFXTM-UHFFFAOYSA-N
XLogP1.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
4-(4-chlorophenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 172892955
2-[3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyacetic acid
CID 102658024
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
(1S,5R)-9-methyl-7-[4-(trifluoromethyl)-2-pyridinyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 135094804
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 76900169
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
6-[4-(trifluoromethyl)-2-pyridinyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 121160620
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane (CID 171326415) is 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane is FC(F)(F)c1ccnc(N2CC3(COC3)C2)c1.
What is the InChIKey of 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is LOUAKJHDCUFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-16)6-17-7-10/h1-3H,4-7H2.
What are the key properties of 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 244.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 171326415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).