CID 89118064

C10H13BFO2 — CID 89118064

IUPAC—
SMILESCCCCc1ccc(O[B]O)c(F)c1
InChIInChI=1S/C10H13BFO2/c1-2-3-4-8-5-6-10(14-11-13)9(12)7-8/h5-7,13H,2-4H2,1H3
InChIKeyDWWDYKDQHCJIRB-UHFFFAOYSA-N
MW195.02 g/mol
LogP2.07
Rot. Bonds5

About CID 89118064

CID 89118064 (PubChem CID 89118064) has the molecular formula C10H13BFO2 and a molecular weight of 195.02 g/mol.

Molecular Properties

Compound NameCID 89118064
PubChem CID89118064
Molecular FormulaC10H13BFO2
Molecular Weight195.02 g/mol
Exact Mass195.10
IUPAC Name—
SMILESCCCCc1ccc(O[B]O)c(F)c1
InChIInChI=1S/C10H13BFO2/c1-2-3-4-8-5-6-10(14-11-13)9(12)7-8/h5-7,13H,2-4H2,1H3
InChIKeyDWWDYKDQHCJIRB-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 89118064?
The IUPAC name of CID 89118064 (CID 89118064) is not available.
What is the SMILES notation for CID 89118064?
The canonical SMILES for CID 89118064 is CCCCc1ccc(O[B]O)c(F)c1.
What is the InChIKey of CID 89118064?
The InChIKey is DWWDYKDQHCJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFO2/c1-2-3-4-8-5-6-10(14-11-13)9(12)7-8/h5-7,13H,2-4H2,1H3.
What are the key properties of CID 89118064?
CID 89118064 has a molecular weight of 195.02 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89118064 is sourced from PubChem (CID 89118064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).