2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol

C25H30ClFN2O — CID 10574585

IUPAC2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2
InChIInChI=1S/C25H30ClFN2O/c26-19-5-8-21-22(18-3-6-20(27)7-4-18)16-24(23(21)15-19)28-11-12-29(13-14-30)25(17-28)9-1-2-10-25/h3-8,15,22,24,30H,1-2,9-14,16-17H2
InChIKeyQIFYCDNAYDWBME-UHFFFAOYSA-N
MW428.98 g/mol
LogP4.98
Rot. Bonds4

About 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol

2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol (PubChem CID 10574585) has the molecular formula C25H30ClFN2O and a molecular weight of 428.98 g/mol. Its IUPAC name is 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol.

Molecular Properties

Compound Name2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol
PubChem CID10574585
Molecular FormulaC25H30ClFN2O
Molecular Weight428.98 g/mol
Exact Mass428.20
IUPAC Name2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol
SMILESOCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2
InChIInChI=1S/C25H30ClFN2O/c26-19-5-8-21-22(18-3-6-20(27)7-4-18)16-24(23(21)15-19)28-11-12-29(13-14-30)25(17-28)9-1-2-10-25/h3-8,15,22,24,30H,1-2,9-14,16-17H2
InChIKeyQIFYCDNAYDWBME-UHFFFAOYSA-N
XLogP4.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.98
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol?
The IUPAC name of 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol (CID 10574585) is 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol.
What is the SMILES notation for 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol?
The canonical SMILES for 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol is OCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2.
What is the InChIKey of 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol?
The InChIKey is QIFYCDNAYDWBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN2O/c26-19-5-8-21-22(18-3-6-20(27)7-4-18)16-24(23(21)15-19)28-11-12-29(13-14-30)25(17-28)9-1-2-10-25/h3-8,15,22,24,30H,1-2,9-14,16-17H2.
What are the key properties of 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol?
2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol has a molecular weight of 428.98 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6,9-diazaspiro[4.5]decan-6-yl]ethanol is sourced from PubChem (CID 10574585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).