CID 123643140

C6H10BFO2 — CID 123643140

IUPAC—
SMILES[B]C1OC(C)C(OC)C1F
InChIInChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3
InChIKeyVQQSRRRSJWEDKT-UHFFFAOYSA-N
MW143.95 g/mol
LogP0.25
Rot. Bonds1

About CID 123643140

CID 123643140 (PubChem CID 123643140) has the molecular formula C6H10BFO2 and a molecular weight of 143.95 g/mol.

Molecular Properties

Compound NameCID 123643140
PubChem CID123643140
Molecular FormulaC6H10BFO2
Molecular Weight143.95 g/mol
Exact Mass144.08
IUPAC Name—
SMILES[B]C1OC(C)C(OC)C1F
InChIInChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3
InChIKeyVQQSRRRSJWEDKT-UHFFFAOYSA-N
XLogP0.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.95
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 123643140 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 123643140?
The IUPAC name of CID 123643140 (CID 123643140) is not available.
What is the SMILES notation for CID 123643140?
The canonical SMILES for CID 123643140 is [B]C1OC(C)C(OC)C1F.
What is the InChIKey of CID 123643140?
The InChIKey is VQQSRRRSJWEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3.
What are the key properties of CID 123643140?
CID 123643140 has a molecular weight of 143.95 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123643140 is sourced from PubChem (CID 123643140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).