8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane

C13H14BrF3N2O2 — CID 106795827

IUPAC8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H14BrF3N2O2/c14-9-7-10(13(15,16)17)11(18-8-9)19-3-1-12(2-4-19)20-5-6-21-12/h7-8H,1-6H2
InChIKeyYOEMLAFDTLAPRC-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.21
Rot. Bonds1

About 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 106795827) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID106795827
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC Name8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H14BrF3N2O2/c14-9-7-10(13(15,16)17)11(18-8-9)19-3-1-12(2-4-19)20-5-6-21-12/h7-8H,1-6H2
InChIKeyYOEMLAFDTLAPRC-UHFFFAOYSA-N
XLogP3.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 106795828
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidine-4-carboximidamide
CID 107162239
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112675459
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
8-(3-bromo-5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79699313
4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-hydroxymorpholine-2-carboximidamide
CID 106795885
4-[4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155981514
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417

Frequently Asked Questions

What is the IUPAC name of 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 106795827) is 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)c1cc(Br)cnc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is YOEMLAFDTLAPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-9-7-10(13(15,16)17)11(18-8-9)19-3-1-12(2-4-19)20-5-6-21-12/h7-8H,1-6H2.
What are the key properties of 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 367.17 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 106795827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).