9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

C24H15BFNO — CID 170540908

IUPAC9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
SMILESFc1ccc2c3c1c1ccccc1n3-c1ccccc1B2Oc1ccccc1
InChIInChI=1S/C24H15BFNO/c26-20-15-14-19-24-23(20)17-10-4-6-12-21(17)27(24)22-13-7-5-11-18(22)25(19)28-16-8-2-1-3-9-16/h1-15H
InChIKeyQCLDETLMSSMEEG-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.42
Rot. Bonds2

About 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (PubChem CID 170540908) has the molecular formula C24H15BFNO and a molecular weight of 363.20 g/mol. Its IUPAC name is 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.

Molecular Properties

Compound Name9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
PubChem CID170540908
Molecular FormulaC24H15BFNO
Molecular Weight363.20 g/mol
Exact Mass363.12
IUPAC Name9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
SMILESFc1ccc2c3c1c1ccccc1n3-c1ccccc1B2Oc1ccccc1
InChIInChI=1S/C24H15BFNO/c26-20-15-14-19-24-23(20)17-10-4-6-12-21(17)27(24)22-13-7-5-11-18(22)25(19)28-16-8-2-1-3-9-16/h1-15H
InChIKeyQCLDETLMSSMEEG-UHFFFAOYSA-N
XLogP4.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The IUPAC name of 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (CID 170540908) is 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.
What is the SMILES notation for 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The canonical SMILES for 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is Fc1ccc2c3c1c1ccccc1n3-c1ccccc1B2Oc1ccccc1.
What is the InChIKey of 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
The InChIKey is QCLDETLMSSMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BFNO/c26-20-15-14-19-24-23(20)17-10-4-6-12-21(17)27(24)22-13-7-5-11-18(22)25(19)28-16-8-2-1-3-9-16/h1-15H.
What are the key properties of 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?
9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene has a molecular weight of 363.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is sourced from PubChem (CID 170540908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).