CID 140811107

C10H10BF2N2O2 — CID 140811107

IUPAC—
SMILESO[B]Oc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C10H10BF2N2O2/c12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)17-11-16/h1-3,7-8,16H,4-5H2
InChIKeyBPHWXJLTLATPOX-UHFFFAOYSA-N
MW239.01 g/mol
LogP0.69
Rot. Bonds3

About CID 140811107

CID 140811107 (PubChem CID 140811107) has the molecular formula C10H10BF2N2O2 and a molecular weight of 239.01 g/mol.

Molecular Properties

Compound NameCID 140811107
PubChem CID140811107
Molecular FormulaC10H10BF2N2O2
Molecular Weight239.01 g/mol
Exact Mass239.08
IUPAC Name—
SMILESO[B]Oc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C10H10BF2N2O2/c12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)17-11-16/h1-3,7-8,16H,4-5H2
InChIKeyBPHWXJLTLATPOX-UHFFFAOYSA-N
XLogP0.69
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 140811107?
The IUPAC name of CID 140811107 (CID 140811107) is not available.
What is the SMILES notation for CID 140811107?
The canonical SMILES for CID 140811107 is O[B]Oc1ccc(N2CC3C(C2)C3(F)F)nc1.
What is the InChIKey of CID 140811107?
The InChIKey is BPHWXJLTLATPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BF2N2O2/c12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)17-11-16/h1-3,7-8,16H,4-5H2.
What are the key properties of CID 140811107?
CID 140811107 has a molecular weight of 239.01 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140811107 is sourced from PubChem (CID 140811107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).