CID 90328327

C7H10BFNO2 — CID 90328327

IUPAC—
SMILESO=C[B]N1CCC(C(=O)CF)C1
InChIInChI=1S/C7H10BFNO2/c9-3-7(12)6-1-2-10(4-6)8-5-11/h5-6H,1-4H2
InChIKeyCXPXFNNKIFHACN-UHFFFAOYSA-N
MW169.97 g/mol
LogP-0.34
Rot. Bonds4

About CID 90328327

CID 90328327 (PubChem CID 90328327) has the molecular formula C7H10BFNO2 and a molecular weight of 169.97 g/mol.

Molecular Properties

Compound NameCID 90328327
PubChem CID90328327
Molecular FormulaC7H10BFNO2
Molecular Weight169.97 g/mol
Exact Mass170.08
IUPAC Name—
SMILESO=C[B]N1CCC(C(=O)CF)C1
InChIInChI=1S/C7H10BFNO2/c9-3-7(12)6-1-2-10(4-6)8-5-11/h5-6H,1-4H2
InChIKeyCXPXFNNKIFHACN-UHFFFAOYSA-N
XLogP-0.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.97
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90328327?
The IUPAC name of CID 90328327 (CID 90328327) is not available.
What is the SMILES notation for CID 90328327?
The canonical SMILES for CID 90328327 is O=C[B]N1CCC(C(=O)CF)C1.
What is the InChIKey of CID 90328327?
The InChIKey is CXPXFNNKIFHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BFNO2/c9-3-7(12)6-1-2-10(4-6)8-5-11/h5-6H,1-4H2.
What are the key properties of CID 90328327?
CID 90328327 has a molecular weight of 169.97 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90328327 is sourced from PubChem (CID 90328327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).