CID 157389731

C6H10BFO2 — CID 157389731

IUPAC—
SMILES[2H]C[C@H]1O[C@@H]([B])[C@@H](F)C1OC
InChIInChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3/t3-,4+,5?,6-/m1/s1/i1D
InChIKeyVQQSRRRSJWEDKT-RBWZDSRTSA-N
MW144.96 g/mol
LogP0.25
Rot. Bonds2

About CID 157389731

CID 157389731 (PubChem CID 157389731) has the molecular formula C6H10BFO2 and a molecular weight of 144.96 g/mol.

Molecular Properties

Compound NameCID 157389731
PubChem CID157389731
Molecular FormulaC6H10BFO2
Molecular Weight144.96 g/mol
Exact Mass145.08
IUPAC Name—
SMILES[2H]C[C@H]1O[C@@H]([B])[C@@H](F)C1OC
InChIInChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3/t3-,4+,5?,6-/m1/s1/i1D
InChIKeyVQQSRRRSJWEDKT-RBWZDSRTSA-N
XLogP0.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.96
LogP ≤ 50.25
H-Bond Donors ≤ 50
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 157389731?
The IUPAC name of CID 157389731 (CID 157389731) is not available.
What is the SMILES notation for CID 157389731?
The canonical SMILES for CID 157389731 is [2H]C[C@H]1O[C@@H]([B])[C@@H](F)C1OC.
What is the InChIKey of CID 157389731?
The InChIKey is VQQSRRRSJWEDKT-RBWZDSRTSA-N. The full InChI is InChI=1S/C6H10BFO2/c1-3-5(9-2)4(8)6(7)10-3/h3-6H,1-2H3/t3-,4+,5?,6-/m1/s1/i1D.
What are the key properties of CID 157389731?
CID 157389731 has a molecular weight of 144.96 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157389731 is sourced from PubChem (CID 157389731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).