8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene

C23H30F2N2 — CID 155108146

IUPAC8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene
SMILESC=C(CCC(C)(F)F)N1CCC2(CC1)CN=C(c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C23H30F2N2/c1-17(8-9-22(2,24)25)27-12-10-23(11-13-27)15-21(26-16-23)20-7-6-18-4-3-5-19(18)14-20/h6-7,14H,1,3-5,8-13,15-16H2,2H3
InChIKeyJGRSLOHESLNRLD-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.40
Rot. Bonds5

About 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene

8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 155108146) has the molecular formula C23H30F2N2 and a molecular weight of 372.50 g/mol. Its IUPAC name is 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID155108146
Molecular FormulaC23H30F2N2
Molecular Weight372.50 g/mol
Exact Mass372.24
IUPAC Name8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene
SMILESC=C(CCC(C)(F)F)N1CCC2(CC1)CN=C(c1ccc3c(c1)CCC3)C2
InChIInChI=1S/C23H30F2N2/c1-17(8-9-22(2,24)25)27-12-10-23(11-13-27)15-21(26-16-23)20-7-6-18-4-3-5-19(18)14-20/h6-7,14H,1,3-5,8-13,15-16H2,2H3
InChIKeyJGRSLOHESLNRLD-UHFFFAOYSA-N
XLogP5.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene (CID 155108146) is 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene is C=C(CCC(C)(F)F)N1CCC2(CC1)CN=C(c1ccc3c(c1)CCC3)C2.
What is the InChIKey of 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is JGRSLOHESLNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2/c1-17(8-9-22(2,24)25)27-12-10-23(11-13-27)15-21(26-16-23)20-7-6-18-4-3-5-19(18)14-20/h6-7,14H,1,3-5,8-13,15-16H2,2H3.
What are the key properties of 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene?
8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 372.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,5-difluorohex-1-en-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 155108146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).