CID 175212748

C4H9BFO — CID 175212748

IUPAC—
SMILESCCOC(C)[B]F
InChIInChI=1S/C4H9BFO/c1-3-7-4(2)5-6/h4H,3H2,1-2H3
InChIKeyPTCCHYDJJXZONE-UHFFFAOYSA-N
MW102.92 g/mol
LogP0.96
Rot. Bonds3

About CID 175212748

CID 175212748 (PubChem CID 175212748) has the molecular formula C4H9BFO and a molecular weight of 102.92 g/mol.

Molecular Properties

Compound NameCID 175212748
PubChem CID175212748
Molecular FormulaC4H9BFO
Molecular Weight102.92 g/mol
Exact Mass103.07
IUPAC Name—
SMILESCCOC(C)[B]F
InChIInChI=1S/C4H9BFO/c1-3-7-4(2)5-6/h4H,3H2,1-2H3
InChIKeyPTCCHYDJJXZONE-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.92
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 175212748?
The IUPAC name of CID 175212748 (CID 175212748) is not available.
What is the SMILES notation for CID 175212748?
The canonical SMILES for CID 175212748 is CCOC(C)[B]F.
What is the InChIKey of CID 175212748?
The InChIKey is PTCCHYDJJXZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BFO/c1-3-7-4(2)5-6/h4H,3H2,1-2H3.
What are the key properties of CID 175212748?
CID 175212748 has a molecular weight of 102.92 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175212748 is sourced from PubChem (CID 175212748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).