CID 69338104

C17H11BF2NO — CID 69338104

IUPAC—
SMILESC=C([B]Oc1cccc2cccnc12)c1cc(F)cc(F)c1
InChIInChI=1S/C17H11BF2NO/c1-11(13-8-14(19)10-15(20)9-13)18-22-16-6-2-4-12-5-3-7-21-17(12)16/h2-10H,1H2
InChIKeyOTCZNWIHBDOKJB-UHFFFAOYSA-N
MW294.09 g/mol
LogP4.18
Rot. Bonds4

About CID 69338104

CID 69338104 (PubChem CID 69338104) has the molecular formula C17H11BF2NO and a molecular weight of 294.09 g/mol.

Molecular Properties

Compound NameCID 69338104
PubChem CID69338104
Molecular FormulaC17H11BF2NO
Molecular Weight294.09 g/mol
Exact Mass294.09
IUPAC Name—
SMILESC=C([B]Oc1cccc2cccnc12)c1cc(F)cc(F)c1
InChIInChI=1S/C17H11BF2NO/c1-11(13-8-14(19)10-15(20)9-13)18-22-16-6-2-4-12-5-3-7-21-17(12)16/h2-10H,1H2
InChIKeyOTCZNWIHBDOKJB-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 28825225
CID 90877038
CID 90877038
CID 137322014
CID 137322014
8-(chloromethoxy)quinoline
CID 79531226
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
8-[4-(2-fluorophenoxy)butoxy]quinoline
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Frequently Asked Questions

What is the IUPAC name of CID 69338104?
The IUPAC name of CID 69338104 (CID 69338104) is not available.
What is the SMILES notation for CID 69338104?
The canonical SMILES for CID 69338104 is C=C([B]Oc1cccc2cccnc12)c1cc(F)cc(F)c1.
What is the InChIKey of CID 69338104?
The InChIKey is OTCZNWIHBDOKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BF2NO/c1-11(13-8-14(19)10-15(20)9-13)18-22-16-6-2-4-12-5-3-7-21-17(12)16/h2-10H,1H2.
What are the key properties of CID 69338104?
CID 69338104 has a molecular weight of 294.09 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69338104 is sourced from PubChem (CID 69338104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).