8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane

C23H27F2NO2 — CID 69024312

IUPAC8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(C(CCCN2CCC3(CC2)OCCO3)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27F2NO2/c24-20-7-3-18(4-8-20)22(19-5-9-21(25)10-6-19)2-1-13-26-14-11-23(12-15-26)27-16-17-28-23/h3-10,22H,1-2,11-17H2
InChIKeySZRKKGBMJZHSNX-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.72
Rot. Bonds6

About 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 69024312) has the molecular formula C23H27F2NO2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID69024312
Molecular FormulaC23H27F2NO2
Molecular Weight387.47 g/mol
Exact Mass387.20
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(C(CCCN2CCC3(CC2)OCCO3)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27F2NO2/c24-20-7-3-18(4-8-20)22(19-5-9-21(25)10-6-19)2-1-13-26-14-11-23(12-15-26)27-16-17-28-23/h3-10,22H,1-2,11-17H2
InChIKeySZRKKGBMJZHSNX-UHFFFAOYSA-N
XLogP4.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 69024312) is 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(C(CCCN2CCC3(CC2)OCCO3)c2ccc(F)cc2)cc1.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SZRKKGBMJZHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO2/c24-20-7-3-18(4-8-20)22(19-5-9-21(25)10-6-19)2-1-13-26-14-11-23(12-15-26)27-16-17-28-23/h3-10,22H,1-2,11-17H2.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 387.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 69024312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).