8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile

C14H9F2N3O2 — CID 58134681

IUPAC8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile
SMILESN#Cc1cn2c3c(c(F)c(F)c(N)c3c1=O)OCC21CC1
InChIInChI=1S/C14H9F2N3O2/c15-8-9(16)13-11-7(10(8)18)12(20)6(3-17)4-19(11)14(1-2-14)5-21-13/h4H,1-2,5,18H2
InChIKeySLYTZDIXCGDNHU-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.62
Rot. Bonds

About 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile

8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile (PubChem CID 58134681) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile.

Molecular Properties

Compound Name8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile
PubChem CID58134681
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile
SMILESN#Cc1cn2c3c(c(F)c(F)c(N)c3c1=O)OCC21CC1
InChIInChI=1S/C14H9F2N3O2/c15-8-9(16)13-11-7(10(8)18)12(20)6(3-17)4-19(11)14(1-2-14)5-21-13/h4H,1-2,5,18H2
InChIKeySLYTZDIXCGDNHU-UHFFFAOYSA-N
XLogP1.62
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile?
The IUPAC name of 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile (CID 58134681) is 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile.
What is the SMILES notation for 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile?
The canonical SMILES for 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile is N#Cc1cn2c3c(c(F)c(F)c(N)c3c1=O)OCC21CC1.
What is the InChIKey of 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile?
The InChIKey is SLYTZDIXCGDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-8-9(16)13-11-7(10(8)18)12(20)6(3-17)4-19(11)14(1-2-14)5-21-13/h4H,1-2,5,18H2.
What are the key properties of 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile?
8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile has a molecular weight of 289.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopropane]-11-carbonitrile is sourced from PubChem (CID 58134681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).