CID 161144713

C3H11BF — CID 161144713

IUPAC—
SMILESC.C.CF.[B]
InChIInChI=1S/CH3F.2CH4.B/c1-2;;;/h1H3;2*1H4;
InChIKeyYPKOCCHWRNZFMC-UHFFFAOYSA-N
MW76.93 g/mol
LogP1.48
Rot. Bonds

About CID 161144713

CID 161144713 (PubChem CID 161144713) has the molecular formula C3H11BF and a molecular weight of 76.93 g/mol.

Molecular Properties

Compound NameCID 161144713
PubChem CID161144713
Molecular FormulaC3H11BF
Molecular Weight76.93 g/mol
Exact Mass77.09
IUPAC Name—
SMILESC.C.CF.[B]
InChIInChI=1S/CH3F.2CH4.B/c1-2;;;/h1H3;2*1H4;
InChIKeyYPKOCCHWRNZFMC-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.93
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 161144713?
The IUPAC name of CID 161144713 (CID 161144713) is not available.
What is the SMILES notation for CID 161144713?
The canonical SMILES for CID 161144713 is C.C.CF.[B].
What is the InChIKey of CID 161144713?
The InChIKey is YPKOCCHWRNZFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F.2CH4.B/c1-2;;;/h1H3;2*1H4;.
What are the key properties of CID 161144713?
CID 161144713 has a molecular weight of 76.93 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161144713 is sourced from PubChem (CID 161144713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).