CID 88563660

C19H26BFO5 — CID 88563660

IUPAC—
SMILES[B]C1=C(OC)C(=O)C(CCCCCCCCC(F)C(=O)OC)=C(C)C1=O
InChIInChI=1S/C19H26BFO5/c1-12-13(17(23)18(25-2)15(20)16(12)22)10-8-6-4-5-7-9-11-14(21)19(24)26-3/h14H,4-11H2,1-3H3
InChIKeyRIEWLIFXUPUFTK-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.11
Rot. Bonds11

About CID 88563660

CID 88563660 (PubChem CID 88563660) has the molecular formula C19H26BFO5 and a molecular weight of 364.22 g/mol.

Molecular Properties

Compound NameCID 88563660
PubChem CID88563660
Molecular FormulaC19H26BFO5
Molecular Weight364.22 g/mol
Exact Mass364.19
IUPAC Name—
SMILES[B]C1=C(OC)C(=O)C(CCCCCCCCC(F)C(=O)OC)=C(C)C1=O
InChIInChI=1S/C19H26BFO5/c1-12-13(17(23)18(25-2)15(20)16(12)22)10-8-6-4-5-7-9-11-14(21)19(24)26-3/h14H,4-11H2,1-3H3
InChIKeyRIEWLIFXUPUFTK-UHFFFAOYSA-N
XLogP3.11
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 88563660 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88563660?
The IUPAC name of CID 88563660 (CID 88563660) is not available.
What is the SMILES notation for CID 88563660?
The canonical SMILES for CID 88563660 is [B]C1=C(OC)C(=O)C(CCCCCCCCC(F)C(=O)OC)=C(C)C1=O.
What is the InChIKey of CID 88563660?
The InChIKey is RIEWLIFXUPUFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BFO5/c1-12-13(17(23)18(25-2)15(20)16(12)22)10-8-6-4-5-7-9-11-14(21)19(24)26-3/h14H,4-11H2,1-3H3.
What are the key properties of CID 88563660?
CID 88563660 has a molecular weight of 364.22 g/mol, XLogP of 3.11, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88563660 is sourced from PubChem (CID 88563660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).