8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C25H31ClF2N2O3 — CID 3077299

IUPAC8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1C(=O)OC2(CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)O.Cl
InChIInChI=1S/C25H30F2N2O3.ClH/c1-24(31)25(32-23(30)28(24)2)13-16-29(17-14-25)15-3-4-22(18-5-9-20(26)10-6-18)19-7-11-21(27)12-8-19;/h5-12,22,31H,3-4,13-17H2,1-2H3;1H
InChIKeyZCJFYCIXRHEPHS-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.92
Rot. Bonds6

About 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 3077299) has the molecular formula C25H31ClF2N2O3 and a molecular weight of 480.98 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID3077299
Molecular FormulaC25H31ClF2N2O3
Molecular Weight480.98 g/mol
Exact Mass480.20
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1C(=O)OC2(CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)O.Cl
InChIInChI=1S/C25H30F2N2O3.ClH/c1-24(31)25(32-23(30)28(24)2)13-16-29(17-14-25)15-3-4-22(18-5-9-20(26)10-6-18)19-7-11-21(27)12-8-19;/h5-12,22,31H,3-4,13-17H2,1-2H3;1H
InChIKeyZCJFYCIXRHEPHS-UHFFFAOYSA-N
XLogP4.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 3077299) is 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CN1C(=O)OC2(CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1(C)O.Cl.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is ZCJFYCIXRHEPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O3.ClH/c1-24(31)25(32-23(30)28(24)2)13-16-29(17-14-25)15-3-4-22(18-5-9-20(26)10-6-18)19-7-11-21(27)12-8-19;/h5-12,22,31H,3-4,13-17H2,1-2H3;1H.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 480.98 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 3077299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).