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

C20H28F2N2O — CID 45196634

IUPAC9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)c1F
InChIInChI=1S/C20H28F2N2O/c21-18-4-1-3-16(19(18)22)13-23-9-2-7-20(14-23)8-10-24(15-20)17-5-11-25-12-6-17/h1,3-4,17H,2,5-15H2
InChIKeyXCESITPQOUPJML-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.43
Rot. Bonds3

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

9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 45196634) has the molecular formula C20H28F2N2O and a molecular weight of 350.45 g/mol. Its IUPAC name is 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID45196634
Molecular FormulaC20H28F2N2O
Molecular Weight350.45 g/mol
Exact Mass350.22
IUPAC Name9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)c1F
InChIInChI=1S/C20H28F2N2O/c21-18-4-1-3-16(19(18)22)13-23-9-2-7-20(14-23)8-10-24(15-20)17-5-11-25-12-6-17/h1,3-4,17H,2,5-15H2
InChIKeyXCESITPQOUPJML-UHFFFAOYSA-N
XLogP3.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (CID 45196634) is 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is Fc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2)c1F.
What is the InChIKey of 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is XCESITPQOUPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O/c21-18-4-1-3-16(19(18)22)13-23-9-2-7-20(14-23)8-10-24(15-20)17-5-11-25-12-6-17/h1,3-4,17H,2,5-15H2.
What are the key properties of 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 350.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-difluorophenyl)methyl]-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45196634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).