CID 22888263

C19H19BFNO2 — CID 22888263

IUPAC—
SMILES[B]C(=O)N1CCC(O)(c2cccc(Cc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H19BFNO2/c20-18(23)22-10-8-19(24,9-11-22)16-3-1-2-15(13-16)12-14-4-6-17(21)7-5-14/h1-7,13,24H,8-12H2
InChIKeyIKDSBAYUNVNLLL-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.99
Rot. Bonds3

About CID 22888263

CID 22888263 (PubChem CID 22888263) has the molecular formula C19H19BFNO2 and a molecular weight of 323.18 g/mol.

Molecular Properties

Compound NameCID 22888263
PubChem CID22888263
Molecular FormulaC19H19BFNO2
Molecular Weight323.18 g/mol
Exact Mass323.15
IUPAC Name—
SMILES[B]C(=O)N1CCC(O)(c2cccc(Cc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H19BFNO2/c20-18(23)22-10-8-19(24,9-11-22)16-3-1-2-15(13-16)12-14-4-6-17(21)7-5-14/h1-7,13,24H,8-12H2
InChIKeyIKDSBAYUNVNLLL-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22888263?
The IUPAC name of CID 22888263 (CID 22888263) is not available.
What is the SMILES notation for CID 22888263?
The canonical SMILES for CID 22888263 is [B]C(=O)N1CCC(O)(c2cccc(Cc3ccc(F)cc3)c2)CC1.
What is the InChIKey of CID 22888263?
The InChIKey is IKDSBAYUNVNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BFNO2/c20-18(23)22-10-8-19(24,9-11-22)16-3-1-2-15(13-16)12-14-4-6-17(21)7-5-14/h1-7,13,24H,8-12H2.
What are the key properties of CID 22888263?
CID 22888263 has a molecular weight of 323.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22888263 is sourced from PubChem (CID 22888263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).