8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C14H17F2NO3 — CID 121456105

IUPAC8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc(F)c(F)cc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17F2NO3/c1-18-13-9-11(16)10(15)8-12(13)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3
InChIKeyRTZGOHKQNQZUSW-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.32
Rot. Bonds2

About 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 121456105) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID121456105
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1cc(F)c(F)cc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17F2NO3/c1-18-13-9-11(16)10(15)8-12(13)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3
InChIKeyRTZGOHKQNQZUSW-UHFFFAOYSA-N
XLogP2.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68555817
8-(3,4-dimethoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 121456120
4,4-difluoro-1-(4-fluoro-2-methoxy-5-methylphenyl)piperidine
CID 177193342
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904933
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-fluoro-2-methoxyaniline
CID 107259477
8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112675459
8-(2-chloro-4-methylsulfanylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904232
8-(2,4-dimethylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 10610507
8-[6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 15454676
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139

Frequently Asked Questions

What is the IUPAC name of 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 121456105) is 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is COc1cc(F)c(F)cc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RTZGOHKQNQZUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-18-13-9-11(16)10(15)8-12(13)17-4-2-14(3-5-17)19-6-7-20-14/h8-9H,2-7H2,1H3.
What are the key properties of 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 285.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5-difluoro-2-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 121456105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).