9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C16H22F2N2 — CID 64877544

IUPAC9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1Cc1cccc(F)c1F
InChIInChI=1S/C16H22F2N2/c1-12-9-19-16(7-2-3-8-16)11-20(12)10-13-5-4-6-14(17)15(13)18/h4-6,12,19H,2-3,7-11H2,1H3
InChIKeyZSZYWFRDFCEEES-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.07
Rot. Bonds2

About 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877544) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64877544
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1Cc1cccc(F)c1F
InChIInChI=1S/C16H22F2N2/c1-12-9-19-16(7-2-3-8-16)11-20(12)10-13-5-4-6-14(17)15(13)18/h4-6,12,19H,2-3,7-11H2,1H3
InChIKeyZSZYWFRDFCEEES-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64877544) is 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1Cc1cccc(F)c1F.
What is the InChIKey of 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is ZSZYWFRDFCEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-12-9-19-16(7-2-3-8-16)11-20(12)10-13-5-4-6-14(17)15(13)18/h4-6,12,19H,2-3,7-11H2,1H3.
What are the key properties of 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).