CID 72640013

C3H6BF — CID 72640013

IUPAC—
SMILES[B]CC(C)F
InChIInChI=1S/C3H6BF/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyBKVKFOAEEUQYBT-UHFFFAOYSA-N
MW71.89 g/mol
LogP0.93
Rot. Bonds1

About CID 72640013

CID 72640013 (PubChem CID 72640013) has the molecular formula C3H6BF and a molecular weight of 71.89 g/mol.

Molecular Properties

Compound NameCID 72640013
PubChem CID72640013
Molecular FormulaC3H6BF
Molecular Weight71.89 g/mol
Exact Mass72.05
IUPAC Name—
SMILES[B]CC(C)F
InChIInChI=1S/C3H6BF/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyBKVKFOAEEUQYBT-UHFFFAOYSA-N
XLogP0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.89
LogP ≤ 50.93
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 72640013?
The IUPAC name of CID 72640013 (CID 72640013) is not available.
What is the SMILES notation for CID 72640013?
The canonical SMILES for CID 72640013 is [B]CC(C)F.
What is the InChIKey of CID 72640013?
The InChIKey is BKVKFOAEEUQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BF/c1-3(5)2-4/h3H,2H2,1H3.
What are the key properties of CID 72640013?
CID 72640013 has a molecular weight of 71.89 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72640013 is sourced from PubChem (CID 72640013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).