8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C30H30F2N2O2 — CID 3077261

IUPAC8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H30F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h2-4,6-7,9-16,28H,1,5,8,17-21H2
InChIKeyDXZFOANBRHMEGN-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.88
Rot. Bonds7

About 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077261) has the molecular formula C30H30F2N2O2 and a molecular weight of 488.58 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077261
Molecular FormulaC30H30F2N2O2
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(c2ccccc2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H30F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h2-4,6-7,9-16,28H,1,5,8,17-21H2
InChIKeyDXZFOANBRHMEGN-UHFFFAOYSA-N
XLogP6.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.88
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]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077261) is 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(c2ccccc2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DXZFOANBRHMEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h2-4,6-7,9-16,28H,1,5,8,17-21H2.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 488.58 g/mol, XLogP of 6.88, 7 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]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).