8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane

C24H32F2O2 — CID 20808056

IUPAC8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(F)cc(C2CC[C@@H]3CC(C4CCC5(CC4)OCCO5)CC[C@H]3C2)c1
InChIInChI=1S/C24H32F2O2/c25-22-13-21(14-23(26)15-22)20-4-3-18-11-17(1-2-19(18)12-20)16-5-7-24(8-6-16)27-9-10-28-24/h13-20H,1-12H2/t17?,18-,19+,20?/m1/s1
InChIKeyRMBKBUGEEZKPJW-KAXARAQCSA-N
MW390.51 g/mol
LogP6.20
Rot. Bonds2

About 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane

8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 20808056) has the molecular formula C24H32F2O2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID20808056
Molecular FormulaC24H32F2O2
Molecular Weight390.51 g/mol
Exact Mass390.24
IUPAC Name8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cc(F)cc(C2CC[C@@H]3CC(C4CCC5(CC4)OCCO5)CC[C@H]3C2)c1
InChIInChI=1S/C24H32F2O2/c25-22-13-21(14-23(26)15-22)20-4-3-18-11-17(1-2-19(18)12-20)16-5-7-24(8-6-16)27-9-10-28-24/h13-20H,1-12H2/t17?,18-,19+,20?/m1/s1
InChIKeyRMBKBUGEEZKPJW-KAXARAQCSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane (CID 20808056) is 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane is Fc1cc(F)cc(C2CC[C@@H]3CC(C4CCC5(CC4)OCCO5)CC[C@H]3C2)c1.
What is the InChIKey of 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is RMBKBUGEEZKPJW-KAXARAQCSA-N. The full InChI is InChI=1S/C24H32F2O2/c25-22-13-21(14-23(26)15-22)20-4-3-18-11-17(1-2-19(18)12-20)16-5-7-24(8-6-16)27-9-10-28-24/h13-20H,1-12H2/t17?,18-,19+,20?/m1/s1.
What are the key properties of 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane?
8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 390.51 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4aS,8aR)-6-(3,5-difluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 20808056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).