2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol

C15H22F2N4O — CID 118744563

IUPAC2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
SMILESCc1ccc(N2CCC3(CN(CCO)CCC3(F)F)C2)nn1
InChIInChI=1S/C15H22F2N4O/c1-12-2-3-13(19-18-12)21-7-4-14(11-21)10-20(8-9-22)6-5-15(14,16)17/h2-3,22H,4-11H2,1H3
InChIKeyIFDVKRZYDSCPOW-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.31
Rot. Bonds3

About 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol

2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol (PubChem CID 118744563) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol.

Molecular Properties

Compound Name2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
PubChem CID118744563
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
SMILESCc1ccc(N2CCC3(CN(CCO)CCC3(F)F)C2)nn1
InChIInChI=1S/C15H22F2N4O/c1-12-2-3-13(19-18-12)21-7-4-14(11-21)10-20(8-9-22)6-5-15(14,16)17/h2-3,22H,4-11H2,1H3
InChIKeyIFDVKRZYDSCPOW-UHFFFAOYSA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The IUPAC name of 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol (CID 118744563) is 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol.
What is the SMILES notation for 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The canonical SMILES for 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol is Cc1ccc(N2CCC3(CN(CCO)CCC3(F)F)C2)nn1.
What is the InChIKey of 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
The InChIKey is IFDVKRZYDSCPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-12-2-3-13(19-18-12)21-7-4-14(11-21)10-20(8-9-22)6-5-15(14,16)17/h2-3,22H,4-11H2,1H3.
What are the key properties of 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol?
2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol has a molecular weight of 312.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,6-difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol is sourced from PubChem (CID 118744563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).