8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C18H26F2N2O — CID 91922080

IUPAC8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(F)cc1F)CC2
InChIInChI=1S/C18H26F2N2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-16(19)9-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyCDSQBRCXGOMTDS-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.76
Rot. Bonds4

About 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922080) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922080
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(F)cc1F)CC2
InChIInChI=1S/C18H26F2N2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-16(19)9-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyCDSQBRCXGOMTDS-UHFFFAOYSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922080) is 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1ccc(F)cc1F)CC2.
What is the InChIKey of 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is CDSQBRCXGOMTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-16(19)9-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3.
What are the key properties of 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 324.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4-difluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).