CID 90772327

C15H3BF9- — CID 90772327

IUPAC—
SMILESC[B-]c1c2c(F)c(F)c(F)c(F)c2c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C15H3BF9/c1-16-6-2-4(10(20)14(24)12(22)8(2)18)7(17)5-3(6)9(19)13(23)15(25)11(5)21/h1H3/q-1
InChIKeyJJFCXOLKGAGREB-UHFFFAOYSA-N
MW364.98 g/mol
LogP4.62
Rot. Bonds1

About CID 90772327

CID 90772327 (PubChem CID 90772327) has the molecular formula C15H3BF9- and a molecular weight of 364.98 g/mol.

Molecular Properties

Compound NameCID 90772327
PubChem CID90772327
Molecular FormulaC15H3BF9-
Molecular Weight364.98 g/mol
Exact Mass365.02
IUPAC Name—
SMILESC[B-]c1c2c(F)c(F)c(F)c(F)c2c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C15H3BF9/c1-16-6-2-4(10(20)14(24)12(22)8(2)18)7(17)5-3(6)9(19)13(23)15(25)11(5)21/h1H3/q-1
InChIKeyJJFCXOLKGAGREB-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.98
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90772327?
The IUPAC name of CID 90772327 (CID 90772327) is not available.
What is the SMILES notation for CID 90772327?
The canonical SMILES for CID 90772327 is C[B-]c1c2c(F)c(F)c(F)c(F)c2c(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of CID 90772327?
The InChIKey is JJFCXOLKGAGREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3BF9/c1-16-6-2-4(10(20)14(24)12(22)8(2)18)7(17)5-3(6)9(19)13(23)15(25)11(5)21/h1H3/q-1.
What are the key properties of CID 90772327?
CID 90772327 has a molecular weight of 364.98 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90772327 is sourced from PubChem (CID 90772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).