CID 174039555

C5H11BFS — CID 174039555

IUPAC—
SMILESCSC[C@H](C)C[B]F
InChIInChI=1S/C5H11BFS/c1-5(3-6-7)4-8-2/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyDLUBPZFYSNSOCA-RXMQYKEDSA-N
MW133.02 g/mol
LogP1.99
Rot. Bonds4

About CID 174039555

CID 174039555 (PubChem CID 174039555) has the molecular formula C5H11BFS and a molecular weight of 133.02 g/mol.

Molecular Properties

Compound NameCID 174039555
PubChem CID174039555
Molecular FormulaC5H11BFS
Molecular Weight133.02 g/mol
Exact Mass133.07
IUPAC Name—
SMILESCSC[C@H](C)C[B]F
InChIInChI=1S/C5H11BFS/c1-5(3-6-7)4-8-2/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyDLUBPZFYSNSOCA-RXMQYKEDSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.02
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 174039555 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 174039555?
The IUPAC name of CID 174039555 (CID 174039555) is not available.
What is the SMILES notation for CID 174039555?
The canonical SMILES for CID 174039555 is CSC[C@H](C)C[B]F.
What is the InChIKey of CID 174039555?
The InChIKey is DLUBPZFYSNSOCA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11BFS/c1-5(3-6-7)4-8-2/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of CID 174039555?
CID 174039555 has a molecular weight of 133.02 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174039555 is sourced from PubChem (CID 174039555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).