CID 161261117

C4H16F2I- — CID 161261117

IUPAC—
SMILESC.C.C.C.F[I-]F
InChIInChI=1S/4CH4.F2I/c;;;;1-3-2/h4*1H4;/q;;;;-1
InChIKeyBBJFDSXCPICXFX-UHFFFAOYSA-N
MW229.07 g/mol
LogP0.39
Rot. Bonds

About CID 161261117

CID 161261117 (PubChem CID 161261117) has the molecular formula C4H16F2I- and a molecular weight of 229.07 g/mol.

Molecular Properties

Compound NameCID 161261117
PubChem CID161261117
Molecular FormulaC4H16F2I-
Molecular Weight229.07 g/mol
Exact Mass229.03
IUPAC Name—
SMILESC.C.C.C.F[I-]F
InChIInChI=1S/4CH4.F2I/c;;;;1-3-2/h4*1H4;/q;;;;-1
InChIKeyBBJFDSXCPICXFX-UHFFFAOYSA-N
XLogP0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 161261117 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 161261117?
The IUPAC name of CID 161261117 (CID 161261117) is not available.
What is the SMILES notation for CID 161261117?
The canonical SMILES for CID 161261117 is C.C.C.C.F[I-]F.
What is the InChIKey of CID 161261117?
The InChIKey is BBJFDSXCPICXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4.F2I/c;;;;1-3-2/h4*1H4;/q;;;;-1.
What are the key properties of CID 161261117?
CID 161261117 has a molecular weight of 229.07 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161261117 is sourced from PubChem (CID 161261117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).