19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol

C18H10BFO3 — CID 153294551

IUPAC19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol
SMILESOc1cccc2c1B1c3c(F)cccc3Oc3cccc(c31)O2
InChIInChI=1S/C18H10BFO3/c20-10-4-1-6-12-16(10)19-17-11(21)5-2-7-13(17)23-15-9-3-8-14(22-12)18(15)19/h1-9,21H
InChIKeyUYTSEYOZSOEHJX-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.26
Rot. Bonds

About 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol

19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol (PubChem CID 153294551) has the molecular formula C18H10BFO3 and a molecular weight of 304.09 g/mol. Its IUPAC name is 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol.

Molecular Properties

Compound Name19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol
PubChem CID153294551
Molecular FormulaC18H10BFO3
Molecular Weight304.09 g/mol
Exact Mass304.07
IUPAC Name19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol
SMILESOc1cccc2c1B1c3c(F)cccc3Oc3cccc(c31)O2
InChIInChI=1S/C18H10BFO3/c20-10-4-1-6-12-16(10)19-17-11(21)5-2-7-13(17)23-15-9-3-8-14(22-12)18(15)19/h1-9,21H
InChIKeyUYTSEYOZSOEHJX-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol?
The IUPAC name of 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol (CID 153294551) is 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol.
What is the SMILES notation for 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol?
The canonical SMILES for 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol is Oc1cccc2c1B1c3c(F)cccc3Oc3cccc(c31)O2.
What is the InChIKey of 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol?
The InChIKey is UYTSEYOZSOEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BFO3/c20-10-4-1-6-12-16(10)19-17-11(21)5-2-7-13(17)23-15-9-3-8-14(22-12)18(15)19/h1-9,21H.
What are the key properties of 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol?
19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol has a molecular weight of 304.09 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-fluoro-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-ol is sourced from PubChem (CID 153294551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).