9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C16H19F2NO2 — CID 56868532

IUPAC9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c17-13-3-2-12(14(18)10-13)11-19-8-7-16(5-1-9-21-16)6-4-15(19)20/h2-3,10H,1,4-9,11H2
InChIKeyRFZPFNRDEAOMRM-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.03
Rot. Bonds2

About 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56868532) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56868532
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c17-13-3-2-12(14(18)10-13)11-19-8-7-16(5-1-9-21-16)6-4-15(19)20/h2-3,10H,1,4-9,11H2
InChIKeyRFZPFNRDEAOMRM-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56868532) is 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1F.
What is the InChIKey of 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is RFZPFNRDEAOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-13-3-2-12(14(18)10-13)11-19-8-7-16(5-1-9-21-16)6-4-15(19)20/h2-3,10H,1,4-9,11H2.
What are the key properties of 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 295.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56868532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).