CID 59488600

C5H6BFO2 — CID 59488600

IUPAC—
SMILES[B]C1OC(=C)C(O)C1F
InChIInChI=1S/C5H6BFO2/c1-2-4(8)3(7)5(6)9-2/h3-5,8H,1H2
InChIKeyDFYTTZQAGCVNIF-UHFFFAOYSA-N
MW127.91 g/mol
LogP-0.28
Rot. Bonds

About CID 59488600

CID 59488600 (PubChem CID 59488600) has the molecular formula C5H6BFO2 and a molecular weight of 127.91 g/mol.

Molecular Properties

Compound NameCID 59488600
PubChem CID59488600
Molecular FormulaC5H6BFO2
Molecular Weight127.91 g/mol
Exact Mass128.04
IUPAC Name—
SMILES[B]C1OC(=C)C(O)C1F
InChIInChI=1S/C5H6BFO2/c1-2-4(8)3(7)5(6)9-2/h3-5,8H,1H2
InChIKeyDFYTTZQAGCVNIF-UHFFFAOYSA-N
XLogP-0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.91
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
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 59488600?
The IUPAC name of CID 59488600 (CID 59488600) is not available.
What is the SMILES notation for CID 59488600?
The canonical SMILES for CID 59488600 is [B]C1OC(=C)C(O)C1F.
What is the InChIKey of CID 59488600?
The InChIKey is DFYTTZQAGCVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BFO2/c1-2-4(8)3(7)5(6)9-2/h3-5,8H,1H2.
What are the key properties of CID 59488600?
CID 59488600 has a molecular weight of 127.91 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59488600 is sourced from PubChem (CID 59488600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).