8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane

C26H32FNO2 — CID 70906721

IUPAC8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](C[C@H]1Cc2cc(F)ccc2Cc2ccccc21)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C26H32FNO2/c1-19(18-28-10-8-26(9-11-28)29-12-13-30-26)14-23-16-22-17-24(27)7-6-20(22)15-21-4-2-3-5-25(21)23/h2-7,17,19,23H,8-16,18H2,1H3/t19-,23-/m0/s1
InChIKeySSNRVGOGMFVARH-CVDCTZTESA-N
MW409.55 g/mol
LogP4.92
Rot. Bonds4

About 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 70906721) has the molecular formula C26H32FNO2 and a molecular weight of 409.55 g/mol. Its IUPAC name is 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID70906721
Molecular FormulaC26H32FNO2
Molecular Weight409.55 g/mol
Exact Mass409.24
IUPAC Name8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](C[C@H]1Cc2cc(F)ccc2Cc2ccccc21)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C26H32FNO2/c1-19(18-28-10-8-26(9-11-28)29-12-13-30-26)14-23-16-22-17-24(27)7-6-20(22)15-21-4-2-3-5-25(21)23/h2-7,17,19,23H,8-16,18H2,1H3/t19-,23-/m0/s1
InChIKeySSNRVGOGMFVARH-CVDCTZTESA-N
XLogP4.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-(2,2-Diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74242620
1-[4,4-Bis(4-fluorophenyl)butyl]-3,4,4-trimethoxypiperidine
CID 19883480
[1-[3-(6-Fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)propyl]piperidin-4-yl] hydrogen carbonate
CID 69946076
4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine
CID 143368927
8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 134965340
6-Methyl-8-(1-phenylcyclohexyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58202
8-[1-(4-Fluorophenyl)cyclohexyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 425095
8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 10540493
4-Benzyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperidine
CID 85738758
8-[(4-Fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345090
8-[(5-Fluoro-2-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 115970213

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 70906721) is 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane is C[C@@H](C[C@H]1Cc2cc(F)ccc2Cc2ccccc21)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SSNRVGOGMFVARH-CVDCTZTESA-N. The full InChI is InChI=1S/C26H32FNO2/c1-19(18-28-10-8-26(9-11-28)29-12-13-30-26)14-23-16-22-17-24(27)7-6-20(22)15-21-4-2-3-5-25(21)23/h2-7,17,19,23H,8-16,18H2,1H3/t19-,23-/m0/s1.
What are the key properties of 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 409.55 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-3-[(9S)-13-fluoro-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 70906721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).