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

C24H28ClFN2 — CID 10810927

IUPAC9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2
InChIInChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3
InChIKeyXPYXUCFHJJCHDH-UHFFFAOYSA-N
MW398.95 g/mol
LogP5.62
Rot. Bonds2

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

9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 10810927) has the molecular formula C24H28ClFN2 and a molecular weight of 398.95 g/mol. Its IUPAC name is 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane
PubChem CID10810927
Molecular FormulaC24H28ClFN2
Molecular Weight398.95 g/mol
Exact Mass398.19
IUPAC Name9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2
InChIInChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3
InChIKeyXPYXUCFHJJCHDH-UHFFFAOYSA-N
XLogP5.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.95
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane (CID 10810927) is 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane is CN1CCN(C2CC(c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2.
What is the InChIKey of 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is XPYXUCFHJJCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3.
What are the key properties of 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane?
9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 398.95 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-6-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 10810927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).