16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one

C19H10FNO2 — CID 71145492

IUPAC16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one
SMILESO=c1cc2[nH]c3c4ccccc4oc4cccc(c2cc1F)c43
InChIInChI=1S/C19H10FNO2/c20-13-8-12-10-5-3-7-17-18(10)19(21-14(12)9-15(13)22)11-4-1-2-6-16(11)23-17/h1-9,21H
InChIKeyOXTOOIDNPGIQNE-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.72
Rot. Bonds

About 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one

16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one (PubChem CID 71145492) has the molecular formula C19H10FNO2 and a molecular weight of 303.29 g/mol. Its IUPAC name is 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one.

Molecular Properties

Compound Name16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one
PubChem CID71145492
Molecular FormulaC19H10FNO2
Molecular Weight303.29 g/mol
Exact Mass303.07
IUPAC Name16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one
SMILESO=c1cc2[nH]c3c4ccccc4oc4cccc(c2cc1F)c43
InChIInChI=1S/C19H10FNO2/c20-13-8-12-10-5-3-7-17-18(10)19(21-14(12)9-15(13)22)11-4-1-2-6-16(11)23-17/h1-9,21H
InChIKeyOXTOOIDNPGIQNE-UHFFFAOYSA-N
XLogP4.72
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one?
The IUPAC name of 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one (CID 71145492) is 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one.
What is the SMILES notation for 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one?
The canonical SMILES for 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one is O=c1cc2[nH]c3c4ccccc4oc4cccc(c2cc1F)c43.
What is the InChIKey of 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one?
The InChIKey is OXTOOIDNPGIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNO2/c20-13-8-12-10-5-3-7-17-18(10)19(21-14(12)9-15(13)22)11-4-1-2-6-16(11)23-17/h1-9,21H.
What are the key properties of 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one?
16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one has a molecular weight of 303.29 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-8-oxa-20-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-one is sourced from PubChem (CID 71145492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).