2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C18H26F2N2O — CID 45198354

IUPAC2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C18H26F2N2O/c1-23-10-9-21-7-2-5-18(13-21)6-8-22(14-18)12-15-3-4-16(19)17(20)11-15/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyJXMHRKLMQBAHBZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.90
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45198354) has the molecular formula C18H26F2N2O and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45198354
Molecular FormulaC18H26F2N2O
Molecular Weight324.41 g/mol
Exact Mass324.20
IUPAC Name2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1
InChIInChI=1S/C18H26F2N2O/c1-23-10-9-21-7-2-5-18(13-21)6-8-22(14-18)12-15-3-4-16(19)17(20)11-15/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyJXMHRKLMQBAHBZ-UHFFFAOYSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45198354) is 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(Cc3ccc(F)c(F)c3)C2)C1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is JXMHRKLMQBAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-23-10-9-21-7-2-5-18(13-21)6-8-22(14-18)12-15-3-4-16(19)17(20)11-15/h3-4,11H,2,5-10,12-14H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 324.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45198354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).