14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one

C14H12FNO — CID 57070333

IUPAC14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one
SMILESO=C1C2=NCC=CC2CCc2ccc(F)cc21
InChIInChI=1S/C14H12FNO/c15-11-6-5-9-3-4-10-2-1-7-16-13(10)14(17)12(9)8-11/h1-2,5-6,8,10H,3-4,7H2
InChIKeyPEYRZFSAGOQFND-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.58
Rot. Bonds

About 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one

14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one (PubChem CID 57070333) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one.

Molecular Properties

Compound Name14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one
PubChem CID57070333
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one
SMILESO=C1C2=NCC=CC2CCc2ccc(F)cc21
InChIInChI=1S/C14H12FNO/c15-11-6-5-9-3-4-10-2-1-7-16-13(10)14(17)12(9)8-11/h1-2,5-6,8,10H,3-4,7H2
InChIKeyPEYRZFSAGOQFND-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one?
The IUPAC name of 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one (CID 57070333) is 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one.
What is the SMILES notation for 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one?
The canonical SMILES for 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one is O=C1C2=NCC=CC2CCc2ccc(F)cc21.
What is the InChIKey of 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one?
The InChIKey is PEYRZFSAGOQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-11-6-5-9-3-4-10-2-1-7-16-13(10)14(17)12(9)8-11/h1-2,5-6,8,10H,3-4,7H2.
What are the key properties of 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one?
14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one has a molecular weight of 229.25 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,6,12,14-pentaen-2-one is sourced from PubChem (CID 57070333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).