8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C15H17F2NO3 — CID 77094668

IUPAC8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)COC(=O)O3)c(F)c1F
InChIInChI=1S/C15H17F2NO3/c1-10-2-3-11(13(17)12(10)16)8-18-6-4-15(5-7-18)9-20-14(19)21-15/h2-3H,4-9H2,1H3
InChIKeyJZEVXMYJWXEREH-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.77
Rot. Bonds2

About 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 77094668) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID77094668
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)COC(=O)O3)c(F)c1F
InChIInChI=1S/C15H17F2NO3/c1-10-2-3-11(13(17)12(10)16)8-18-6-4-15(5-7-18)9-20-14(19)21-15/h2-3H,4-9H2,1H3
InChIKeyJZEVXMYJWXEREH-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 77094668) is 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)COC(=O)O3)c(F)c1F.
What is the InChIKey of 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is JZEVXMYJWXEREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-10-2-3-11(13(17)12(10)16)8-18-6-4-15(5-7-18)9-20-14(19)21-15/h2-3H,4-9H2,1H3.
What are the key properties of 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 297.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluoro-4-methylphenyl)methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 77094668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).