2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane

C13H13F5N2 — CID 175648534

IUPAC2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
SMILESFC(F)(F)c1ccc(N2CCCC3(C2)CC3(F)F)nc1
InChIInChI=1S/C13H13F5N2/c14-12(15)7-11(12)4-1-5-20(8-11)10-3-2-9(6-19-10)13(16,17)18/h2-3,6H,1,4-5,7-8H2
InChIKeyPMCWXMGVBWKIAX-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.73
Rot. Bonds1

About 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane

2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane (PubChem CID 175648534) has the molecular formula C13H13F5N2 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
PubChem CID175648534
Molecular FormulaC13H13F5N2
Molecular Weight292.25 g/mol
Exact Mass292.10
IUPAC Name2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
SMILESFC(F)(F)c1ccc(N2CCCC3(C2)CC3(F)F)nc1
InChIInChI=1S/C13H13F5N2/c14-12(15)7-11(12)4-1-5-20(8-11)10-3-2-9(6-19-10)13(16,17)18/h2-3,6H,1,4-5,7-8H2
InChIKeyPMCWXMGVBWKIAX-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653512
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
2-[4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile
CID 118370045
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 155742359

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane (CID 175648534) is 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane is FC(F)(F)c1ccc(N2CCCC3(C2)CC3(F)F)nc1.
What is the InChIKey of 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane?
The InChIKey is PMCWXMGVBWKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2/c14-12(15)7-11(12)4-1-5-20(8-11)10-3-2-9(6-19-10)13(16,17)18/h2-3,6H,1,4-5,7-8H2.
What are the key properties of 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane?
2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane has a molecular weight of 292.25 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 175648534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).