CID 59859104

C2H5BF — CID 59859104

IUPAC—
SMILESCC[B]F
InChIInChI=1S/C2H5BF/c1-2-3-4/h2H2,1H3
InChIKeyZMERTQNFXHSEPN-UHFFFAOYSA-N
MW58.87 g/mol
LogP1.01
Rot. Bonds1

About CID 59859104

CID 59859104 (PubChem CID 59859104) has the molecular formula C2H5BF and a molecular weight of 58.87 g/mol.

Molecular Properties

Compound NameCID 59859104
PubChem CID59859104
Molecular FormulaC2H5BF
Molecular Weight58.87 g/mol
Exact Mass59.05
IUPAC Name—
SMILESCC[B]F
InChIInChI=1S/C2H5BF/c1-2-3-4/h2H2,1H3
InChIKeyZMERTQNFXHSEPN-UHFFFAOYSA-N
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.87
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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N,N-diethylethanamine;pentafluoro-λ5-stibane
CID 88607097
CID 173032071
CID 173032071

Frequently Asked Questions

What is the IUPAC name of CID 59859104?
The IUPAC name of CID 59859104 (CID 59859104) is not available.
What is the SMILES notation for CID 59859104?
The canonical SMILES for CID 59859104 is CC[B]F.
What is the InChIKey of CID 59859104?
The InChIKey is ZMERTQNFXHSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BF/c1-2-3-4/h2H2,1H3.
What are the key properties of CID 59859104?
CID 59859104 has a molecular weight of 58.87 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59859104 is sourced from PubChem (CID 59859104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).